SCHEMBL9831474

SCHEMBL9831474

O=C1CCN(c2cc(Br)cc(Br)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KCNQ2 O43526 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9830695 0.82 MAOB (0.32) KCNQ2MEN1KMT2A
SCHEMBL10407239 0.82 ALOX5 (0.49) ALOX5MEN1KMT2A
SCHEMBL10407318 0.80 AKR1C3 (0.41) MAPTKDM4EMEN1KMT2A
SCHEMBL9829355 0.78 MEN1 (0.33) MEN1KMT2A
SCHEMBL9833165 0.78 CHRM2 (0.48) ALOX5KMT2A
SCHEMBL10407582 0.76 ALDH1A1 (0.46) ALOX5MAPTKCNQ2KMT2A
SCHEMBL9829920 0.76 MAOB (0.50) ALOX5MAPTKCNQ2KMT2A
SCHEMBL9829836 0.76 MAOB (0.36) MAPTKDM4EMEN1KMT2A
SCHEMBL17893759 0.76 MAOB (0.36) ALOX5MAPTKCNQ2KMT2A
SCHEMBL9830246 0.74 HSP90AA1 (0.37) KMT2A

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