SCHEMBL8304196

SCHEMBL8304196

COc1ccc(C2=CCN(Cc3n[nH]c4c(F)c(F)ccc34)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SIGMAR1 Q99720 1/20 0.44
PARP1 P09874 1/20 0.43
HTR1A P08908 5/20 0.42
DRD2 P14416 5/20 0.42
ATM Q13315 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.39
HBB P68871 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL8299447 0.89 MEN1 (0.51) MEN1KMT2ASIGMAR1PARP1HTR1A
SCHEMBL8304153 0.83 HTR1A (0.48) MEN1KMT2ASIGMAR1PARP1HTR1A
SCHEMBL8630130 0.81 MAPT (0.47) MEN1KMT2APARP1DRD2KDM4E
SCHEMBL8299045 0.80 HTR1A (0.56) MEN1KMT2ASIGMAR1PARP1HTR1A
SCHEMBL8299074 0.72 PARP1 (0.46) SIGMAR1PARP1HTR1ADRD2
SCHEMBL238334 0.69 MEN1 (0.66) MEN1KMT2ASIGMAR1HTR1ADRD2
SCHEMBL11823875 0.69 SIGMAR1 (0.60) MEN1KMT2ASIGMAR1PARP1HTR1A
Hydrochloric Acid SCHEMBL29662083 0.68 SIGMAR1 (0.56) MEN1KMT2ASIGMAR1PARP1HTR1A
SCHEMBL5542167 0.68 SIGMAR1 (0.56) MEN1KMT2ASIGMAR1PARP1HTR1A
SCHEMBL8628174 0.68 HSD17B10 (0.52) MEN1KMT2APARP1DRD2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701555-B1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1999-08-04 EP claimed
EP-0701555-A1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1996-03-20 EP claimed
WO-1994021626-A1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-29 WO claimed
EP-0701555-B1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1999-08-04 EP disclosed
US-5665732-A Indazole derivatives MERCK, SHARP & DOHME LTD. (GB) 1997-09-09 US disclosed