SCHEMBL8558945

SCHEMBL8558945

CC(=O)Nc1ccc(Cl)c(C)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 3/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP14 Q460N5 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL10890405 0.86 KDM4E (0.51) ALDH1A1MAPTCA1CA2CA9
SCHEMBL11443101 0.85 ALDH1A1 (0.47) ALDH1A1MAPTCA1CA2CA9
SCHEMBL31043507 0.83 ALDH1A1 (0.46) ALDH1A1MAPTCA1CA2CA9
SCHEMBL18755297 0.83 ALDH1A1 (0.46) ALDH1A1MAPTCA1CA2CA9
SCHEMBL13061724 0.83 POLB (0.50) ALDH1A1MAPTCA1CA2CA9
SCHEMBL11015754 0.79 ALDH1A1 (0.46) ALDH1A1MAPTCA1CA2CA9
SCHEMBL30216059 0.79 ALDH1A1 (0.46) ALDH1A1MAPTCA1CA2CA9
SCHEMBL3876475 0.79 ALDH1A1 (0.46) ALDH1A1MAPTCA1CA2CA9
SCHEMBL5725486 0.79 ALDH1A1 (0.46) ALDH1A1MAPTCA1CA2CA9
SCHEMBL15594109 0.78 ALDH1A1 (0.45) ALDH1A1MAPTCA1CA2CA9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed
US-4600797-A NITRATING AN AMINOBENZENE WHICH HAS A PROTECTEDD AMINO GROUP BAYER AKTIENGESELLSCHAFT (DE) 1986-07-15 US disclosed
EP-0049711-B1 PROCESS FOR THE PRODUCTION OF NITRO-AMINO-BENZENES BAYER AG (DE) 1984-02-29 EP disclosed
EP-0049711-A1 Process for the production of nitro-amino-benzenes BAYER AG (DE) 1982-04-21 EP disclosed
US-4238505-A HIGH TOXICITY FMC CORPORATION (US) 1980-12-09 US disclosed