SCHEMBL10407239

SCHEMBL10407239

O=C1CCN(c2cccc(Br)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
MGLL Q99685 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.44
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.41
DHFR P00374 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
LMNA P02545 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3748579 0.89 ALOX5 (0.51) ALOX5MGLLMEN1KMT2AALDH1A1
SCHEMBL21682970 0.85 MGLL (0.53) ALOX5MGLLMEN1KMT2AALDH1A1
SCHEMBL9831474 0.82 ALOX5 (0.33) ALOX5MEN1KMT2A
SCHEMBL10408075 0.81 HTR3E (0.54) ALOX5ALDH1A1LMNATP53
SCHEMBL10408119 0.79 ALOX5 (0.49) ALOX5MGLLMEN1KMT2AALDH1A1
SCHEMBL1459854 0.79 L3MBTL1 (0.54) ALOX5MGLLALDH1A1L3MBTL1LMNA
SCHEMBL10407318 0.78 AKR1C3 (0.41) MGLLMEN1KMT2AL3MBTL1
SCHEMBL27866033 0.78 EED (0.54) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL1953072 0.77 MEN1 (0.45) ALOX5MEN1KMT2AALDH1A1LMNA
SCHEMBL9829836 0.77 MAOB (0.36) MEN1KMT2AALDH1A1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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