SCHEMBL10694577

SCHEMBL10694577

CCC(Br)C(=O)c1ccc2c(c1)CCCS2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 5/20 0.33
GNG2 P59768 1/20 0.31
GNB1 P62873 1/20 0.31
MAPT P10636 4/20 0.31
KDM4E B2RXH2 4/20 0.31
RYR2 Q92736 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 2/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
CASP3 P42574 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 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
SCHEMBL25569789 0.92 MAPT (0.35) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL10692438 0.85 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ERYR2MEN1
SCHEMBL10775826 0.81 ALDH1A1 (0.38) ALDH1A1MAPTKDM4ERYR2MEN1
SCHEMBL25569825 0.81 MAPT (0.35) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL10693463 0.79 ATM (0.42) ALDH1A1GNG2GNB1MAPTKDM4E
SCHEMBL4694745 0.77 MAPT (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10691604 0.77 HPGD (0.44) ALDH1A1GNG2GNB1MAPTMEN1
SCHEMBL7098217 0.76 ALDH1A1 (0.40) SLC6A4ALDH1A1MAPTKDM4ERYR2
SCHEMBL10693207 0.76 GNG2 (0.45) ALDH1A1GNG2GNB1MAPT
SCHEMBL6975541 0.76 KDM4E (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A

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
US-4791104-A HYPOTENSIVE, ANTILIPEMIC, ANTIHROMBOTIC, ANTIHYPOXIC AGENTS MAGGIONI-WINTHROP S.P.A. (IT) 1988-12-13 US disclosed
WO-1987002359-A1 DIHYDROBENZOTHIOPHENE AND THIOCHROMANE AMINOALCOHOLS MAGGIONI-WINTHROP S.P.A. (IT) 1987-04-23 WO disclosed