SCHEMBL7340289

SCHEMBL7340289

Cc1ccccc1C(=O)S.Cc1ccccc1C(=S)Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL7346004 0.86 TSHR (0.43) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL1029640 0.86 HPGD (0.50) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
SCHEMBL7340295 0.79 HPGD (0.40) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
Chlorobenzene SCHEMBL28513506 0.77 TSHR (0.44) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL93382 0.73 ALDH1A1 (0.54) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
SCHEMBL5426379 0.73 TSHR (0.43) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL29677294 0.73 ALDH1A1 (0.54) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
Ammonia Solution, Strong SCHEMBL27608787 0.71 ALDH1A1 (0.52) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
SCHEMBL9538691 0.70 TRPA1 (0.44) NPC1RAB9AHPGDALDH1A1HTT
SCHEMBL8846398 0.70 HPGD (0.47) HPGDALDH1A1SMN1; SMN2ERCC5FEN1

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
WO-1996007648-A1 2-SUBSTITUTED-4H-3,1-BENZOXAZIN-4-ONES AND BENZTHIAZIN-4-ONES AS INHIBITORS OF COMPLEMENT Clr PROTEASE FOR THE TREATMENT OF INFLAMMATORY PROCESSES WARNER-LAMBERT COMPANY (US) 1996-03-14 WO disclosed