SCHEMBL9830192

SCHEMBL9830192

CCOC(=O)C1CN(c2cccc(C)c2C)CC1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 4/20 0.44
TSHR P16473 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.42
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.41
NR4A1 P22736 1/20 0.40
ESR2 Q92731 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
SCHEMBL9830654 0.90 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL9832074 0.83 KMT2A (0.38) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL9832166 0.83 KDM4E (0.40) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL9829579 0.83 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9830727 0.82 KMT2A (0.42) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9830476 0.82 HTT (0.45) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL9832857 0.82 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL9831628 0.81 HPGD (0.56) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9831965 0.81 HPGD (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9830389 0.80 MAPT (0.43) MAPTALDH1A1MEN1KMT2ALMNA

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