SCHEMBL9525199

SCHEMBL9525199

O=C(O)CCNc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
HTT P42858 4/20 0.53
LMNA P02545 3/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
KDR P35968 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
HSD17B10 Q99714 1/20 0.49
EGFR P00533 1/20 0.48
ERBB3 P21860 1/20 0.48
DGAT1 O75907 1/20 0.47
CASR P41180 1/20 0.47
TP53 P04637 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL10911763 0.98 MAPT (0.52) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL11207225 0.95 MAPT (0.50) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL10911757 0.86 MAPT (0.53) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL27979454 0.85 MAPT (0.55) MAPTALDH1A1KMT2AMEN1HTT
Hydrochloric Acid SCHEMBL30605752 0.82 MEN1 (0.56) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL157003 0.82 MEN1 (0.56) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL30421886 0.82 MEN1 (0.56) MAPTALDH1A1KMT2AMEN1HTT
Hydrochloric Acid SCHEMBL28590040 0.82 MEN1 (0.56) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL9514351 0.82 FABP4 (0.50) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL11527837 0.81 MAPT (0.56) MAPTALDH1A1KMT2AMEN1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4585867-A Process for the preparation of 4-quinolinones RHONE-POULENC SANTE (FR) 1986-04-29 US claimed
EP-0056763-B1 PROCESS FOR THE PREPARATION OF 4-QUINOLINONES RHONE-POULENC SANTE (FR) 1984-07-04 EP claimed
EP-0056764-B1 PROCESS FOR THE PREPARATION OF 7-CHLORO-1,2,3,4-TETRAHYDRO-4-QUINOLONE RHONE-POULENC SANTE (FR) 1983-12-28 EP claimed
US-4421918-A Process for the preparation of 7-chloro-1,2,3,4-tetrahydroquinolin-4-one RHONE-POULENC SANTE (FR) 1983-12-20 US claimed
US-4412075-A Process for the preparation of quinolin-4-ones RHONE-POULENC SANTE (FR) 1983-10-25 US claimed
JP-4112860-A None JP disclosed
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
JP-H04112860-A N-(SUBSTITUTED BENZOYL)-N-(3-CHLOROPHENYL)-BETA-ALANINE AND SALT THEREOF HODOGAYA CHEM CO LTD 1992-04-14 JP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP disclosed
US-4593101-A Process for the preparation of 4-quinolinones RHONE-POULENC SANTE (FR) 1986-06-03 US disclosed
US-4585867-A Process for the preparation of 4-quinolinones RHONE-POULENC SANTE (FR) 1986-04-29 US disclosed
US-4508902-A OXIDATION OF 1,2,3,4-TETRAHYDROQUINOLINE-4-ONES RHONE-POULENC SANTE (FR) 1985-04-02 US disclosed
US-4421920-A AMINATION, AROMATIZATION, RUTHENIUM CATALYST RHONE-POULENC SANTE (FR) 1983-12-20 US disclosed
US-4421918-A Process for the preparation of 7-chloro-1,2,3,4-tetrahydroquinolin-4-one RHONE-POULENC SANTE (FR) 1983-12-20 US disclosed
US-4421918-A Process for the preparation of 7-chloro-1,2,3,4-tetrahydroquinolin-4-one RHONE-POULENC SANTE (FR) 1983-12-20 US disclosed
US-4412076-A Preparation of 4-hydroxyquinolines RHONE-POULENC SANTE (FR) 1983-10-25 US disclosed
US-4412075-A Process for the preparation of quinolin-4-ones RHONE-POULENC SANTE (FR) 1983-10-25 US disclosed