SCHEMBL9833440

SCHEMBL9833440

O=C1CCN(c2ccc(Br)cc2Br)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
HSP90AA1 P07900 1/20 0.38
TLR9 Q9NR96 1/20 0.38
SRD5A1 P18405 1/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 2/20 0.34
ASIC3 Q9UHC3 1/20 0.34
ALOX5 P09917 1/20 0.33
CASP2 P42575 1/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 1/20 0.32
HBB P68871 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL9830953 0.86 HTR1A (0.41) MAPTHSP90AA1TLR9SRD5A1KMT2A
SCHEMBL9830989 0.80 IP6K1 (0.33) MAPTHSP90AA1KMT2AALDH1A1MEN1
SCHEMBL10407588 0.79 MGLL (0.44) MAPTKMT2AALDH1A1OPRM1MEN1
SCHEMBL9829355 0.77 MEN1 (0.33) KMT2AMEN1TSHR
SCHEMBL10407318 0.74 AKR1C3 (0.41) MAPTKMT2AMEN1HSD17B10KDM4E
SCHEMBL6104025 0.73 LMNA (0.35) MAPTKMT2AALDH1A1MEN1ASIC3
SCHEMBL6104022 0.73 LMNA (0.35) MAPTKMT2AALDH1A1MEN1ASIC3
SCHEMBL9830729 0.72 SRD5A1 (0.47) MAPTHSP90AA1SRD5A1ALDH1A1ALOX5
SCHEMBL17543490 0.72 ALDH1A1 (0.59) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL21590283 0.72 MAPT (0.48) MAPTSRD5A1KMT2AALDH1A1MEN1

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