SCHEMBL9832760

SCHEMBL9832760

N#CC(C#N)=C1CC1N1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.34
MEN1 O00255 3/20 0.30
POLB P06746 3/20 0.30
MAPT P10636 3/20 0.30
KMT2A Q03164 3/20 0.30
ALDH1A1 P00352 3/20 0.30
USP2 O75604 2/20 0.30
LMNA P02545 2/20 0.30
HTT P42858 2/20 0.30
RECQL P46063 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPK1 P28482 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL9829972 0.66 DRD2 (0.36) HRH3MEN1POLBMAPTKMT2A
SCHEMBL19851303 0.61
SCHEMBL12262527 0.56 HRH3 (0.30) HRH3
SCHEMBL304915 0.54 SLC18A3 (0.56) MEN1POLBKMT2AALDH1A1LMNA
SCHEMBL9145349 0.53
SCHEMBL10562689 0.52 SLC18A3 (0.50) POLBMAPTKMT2AALDH1A1
SCHEMBL22142098 0.52 CHRNA7 (0.36) MEN1KMT2AALDH1A1LMNA
SCHEMBL1473027 0.52 ALDH1A1 (0.36) HRH3MEN1MAPTKMT2AALDH1A1
SCHEMBL38665299 0.51 SLC18A3 (0.49) POLBMAPTKMT2AALDH1A1
SCHEMBL5508352 0.51 ALDH1A1 (0.60) HRH3MAPTALDH1A1LMNARECQL

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 2 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