SCHEMBL8299447

SCHEMBL8299447

COc1ccc(C2=CCN(Cc3n[nH]c4c(F)cccc34)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PARP1 P09874 3/20 0.47
HTR1A P08908 5/20 0.46
DRD2 P14416 5/20 0.46
SIGMAR1 Q99720 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTR2A P28223 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.40
HBB P68871 1/20 0.40

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
SCHEMBL8304196 0.89 MEN1 (0.49) MEN1KMT2APARP1HTR1ADRD2
SCHEMBL8304153 0.88 HTR1A (0.48) MEN1KMT2APARP1HTR1ADRD2
SCHEMBL8299045 0.83 HTR1A (0.56) MEN1KMT2APARP1HTR1ADRD2
SCHEMBL8628174 0.80 HSD17B10 (0.52) MEN1KMT2APARP1DRD2KDM4E
SCHEMBL8299074 0.76 PARP1 (0.46) PARP1HTR1ADRD2SIGMAR1
SCHEMBL1407225 0.71 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL238334 0.71 MEN1 (0.66) MEN1KMT2AHTR1ADRD2SIGMAR1
SCHEMBL8629115 0.70 HTR7 (0.43) MEN1KMT2APARP1HTR1AKDM4E
Hydrochloric Acid SCHEMBL19066024 0.70 MEN1 (0.65) MEN1KMT2AHTR1ADRD2SIGMAR1
SCHEMBL8630130 0.70 MAPT (0.47) 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 7 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
EP-0701555-A1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1996-03-20 EP disclosed
WO-1994021626-A1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-29 WO disclosed