SCHEMBL9831029

SCHEMBL9831029

COc1ccc(CN2CCC(=C(C#N)C#N)C2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ABCB1 P08183 1/20 0.45
TACR1 P25103 1/20 0.44

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
SCHEMBL9830403 0.91 MAPT (0.48) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL10408283 0.85 POLB (0.55) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL9831681 0.84 MEN1 (0.49) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL9832290 0.81 ABCB1 (0.50) KDM4EMEN1KMT2APOLBTSHR
SCHEMBL9832675 0.80 SIGMAR1 (0.54) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL9832337 0.79 KMT2A (0.43) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL9831214 0.79 KDM4E (0.50) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL10408096 0.78 KDM4E (0.53) KDM4EMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9831999 0.77 KDM4E (0.68) KDM4EMEN1KMT2AMAPK1ALDH1A1
SCHEMBL10407107 0.77 CA9 (0.56) KDM4EMEN1KMT2AALDH1A1POLB

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