SCHEMBL9525216

SCHEMBL9525216

CC(CCCOC(=O)Nc1cccc2ccccc12)NC(=O)OCCc1ccc(NC(=O)c2cncc(Br)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TSHR P16473 2/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.40
MITF O75030 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDR P35968 2/20 0.40
TRPV1 Q8NER1 3/20 0.39
CSF1R P07333 1/20 0.39

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
SCHEMBL9525576 0.95 TSHR (0.45) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL9524407 0.93 MAPK1 (0.45) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL9524189 0.90 MEN1 (0.49) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL9525343 0.89 ALDH1A1 (0.44) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL9525302 0.86 TRPV1 (0.47) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL9526042 0.86 TRPV1 (0.47) MAPTKDM4EMAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL9528487 0.85 KDM4E (0.41) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL9525531 0.84 MAPT (0.52) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL9525186 0.82 MEN1 (0.53) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL9524021 0.81 MEN1 (0.44) MAPTKDM4EMAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed