SCHEMBL9830229

SCHEMBL9830229

CCN1CCC(=C(C#N)C#N)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 6/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
PTK2B Q14289 1/20 0.40
ESR2 Q92731 1/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL9830255 0.85 DRD2 (0.39) ALDH1A1KMT2AMEN1DRD2DRD3
SCHEMBL9829731 0.82 DRD2 (0.47) ALDH1A1KDM4EHPGDDRD2DRD3
SCHEMBL9832990 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL9830062 0.74 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL9832661 0.73 KMT2A (0.52) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL10407364 0.73 CHRM5 (0.43) ALDH1A1HSD17B10SMN1; SMN2HRH3CHRM5
SCHEMBL9831258 0.72 CYP2C19 (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9832290 0.71 ABCB1 (0.50) KDM4EKMT2AMEN1DRD2USP2
SCHEMBL9832337 0.71 KMT2A (0.43) KDM4EKMT2AMEN1MAPTGAA
SCHEMBL9830298 0.70 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1MAPT

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
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed