SCHEMBL9830003

SCHEMBL9830003

Brc1ccc(N2CCCC2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.48
ALDH1A1 P00352 8/20 0.47
MAPT P10636 5/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
ALOX15 P16050 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 3/20 0.47
S100B P04271 2/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6826402 0.79 HPGD (0.50) TERTALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL16056664 0.79 MAPT (0.46) TERTALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL17893582 0.79 ALDH1A1 (0.46) TERTALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL28867024 0.79 ALDH1A1 (0.46) TERTALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL29937495 0.79 ALDH1A1 (0.46) TERTALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL10277024 0.79 MEN1 (0.46) TERTALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL798142 0.79 HPGD (0.54) TERTALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL16056360 0.78 ALDH1A1 (0.49) TERTALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL23457073 0.77 TERT (0.44) TERTALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL21736791 0.77 MAPT (0.41) TERTALDH1A1MAPTL3MBTL1ALOX15

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