SCHEMBL27778792

SCHEMBL27778792

Cc1cccc(O)c1C(=O)Nc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.53
LMNA P02545 5/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
TP53 P04637 2/20 0.52
TSHR P16473 1/20 0.52
KDM4C Q9H3R0 1/20 0.49
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.46
CXCR1 P25024 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
CXCR2 P25025 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL934859 0.80 HTT (0.71) HTTLMNAHSD17B10HPGDKDM4E
SCHEMBL19052112 0.78 HPGD (0.59) HTTLMNAHSD17B10HPGDKDM4E
SCHEMBL2699674 0.76 LMNA (0.73) HTTLMNAHSD17B10HPGDKDM4E
SCHEMBL27803932 0.73 KDR (0.69) HTTLMNAHPGDKDM4EALDH1A1
SCHEMBL27799819 0.73 NPC1 (0.61) HTTLMNAHSD17B10KDM4ENPC1
SCHEMBL7223414 0.72 HTT (0.52) HTTLMNAHSD17B10HPGDKDM4E
SCHEMBL23752320 0.72 F2R (0.51) HTTLMNAALDH1A1MAPK1KMT2A
SCHEMBL6924667 0.72 CXCR1 (0.73) HTTLMNANPC1RAB9ATP53
SCHEMBL5594844 0.72 CXCR1 (0.73) HTTLMNANPC1RAB9ATP53
SCHEMBL31092076 0.71 HPGD (0.68) HTTLMNAHSD17B10HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101698651-A Salicylanilide derivatives, preparation method thereof and application thereof NANJING UNIVERSITY CHINA MEDIC 2010-04-28 CN disclosed