SCHEMBL4701268

SCHEMBL4701268

CCC(NCc1ccco1)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.37
HPGD P15428 6/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 10/20 0.35
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 5/20 0.35
HRH4 Q9H3N8 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 4/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
F2 P00734 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 4/20 0.34
USP2 O75604 3/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL4702277 0.84 CRHR1 (0.43) CRHR1HPGDLMNAALDH1A1KDM4E
SCHEMBL4698860 0.80 CRHR1 (0.44) CRHR1LMNAALDH1A1KDM4EHSD17B10
SCHEMBL4702339 0.80 CRHR1 (0.44) CRHR1
SCHEMBL4700167 0.80 CRHR1 (0.36) CRHR1
SCHEMBL4702631 0.79 POLB (0.36) CRHR1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL4701265 0.78 CRHR1 (0.34) CRHR1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL4701270 0.76 CHRM2 (0.39) CRHR1HPGDLMNAALDH1A1KDM4E
SCHEMBL4701262 0.74 CRHR1 (0.49) CRHR1MAPTTSHR
SCHEMBL3364667 0.71 CRHR1 (0.40) CRHR1KDM4EHSD17B10HRH4MAPT
SCHEMBL4697907 0.69 MAPT (0.31) HPGDLMNAALDH1A1KDM4EHSD17B10

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
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed