SCHEMBL5487055

SCHEMBL5487055

Cc1ccc2c(-c3c[nH]nc3-c3cccc(Br)c3)ccnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
TDO2 P48775 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HSP90AA1 P07900 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGES O14684 1/20 0.36
HTR1A P08908 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
EGFR P00533 2/20 0.35
NPSR1 Q6W5P4 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2052409 0.78 TGFBR1 (0.51) HTR1AADRA1DADRA1AADRA1BNSD3
SCHEMBL5496607 0.75 GRM4 (0.51) NPC1RAB9ANPSR1KDM4EMAPT
SCHEMBL757488 0.73 PIK3CA (0.50) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL2047631 0.72 TDO2 (0.47) IDO1TDO2TGFBR1MAPK14DYRK1A
SCHEMBL373583 0.72 MAPK14 (0.55) IDO1NPC1RAB9AKDM4ETGFBR1
SCHEMBL1849077 0.71 NPC1 (0.46) IDO1TDO2NPC1RAB9AMAPT
SCHEMBL373237 0.70 MAPK14 (0.64) TDO2EGFRNPSR1LMNAHTT
SCHEMBL5256574 0.68 MAPK14 (0.49) TGFBR1MAPK14MAP4K4CDK2MAPK9
SCHEMBL373271 0.68 TGFBR1 (0.59) IDO1NPC1RAB9AKDM4ETGFBR1
SCHEMBL5496438 0.67 TGFBR1 (0.56) TGFBR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276525-B2 Osteogenesis-promotion enhancer and method of screening the same NIPPON SHINYAKU CO. LTD. (JP) 2007-10-02 US disclosed
US-20060183778-A1 Osteogenesis-promotion enhancer and method of screening the same JAPANESE FOUNDATION OF CANCER RESEARCH (JP) 2006-08-17 US disclosed
EP-1632249-A1 OSTEOGENESIS-PROMOTION ENHANCER AND METHOD OF SCREENING THE SAME Nippon Shinyaku Co., Ltd. (JP) 2006-03-08 EP disclosed