SCHEMBL11733174

SCHEMBL11733174

Cc1ccc(N=S(=O)=O)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 6/20 0.32
▸ MAPT P10636 3/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL11057456 0.79 NPC1 (0.46) RAB9ANPC1KMT2AMEN1L3MBTL1
SCHEMBL28108539 0.76 MAPT (0.36) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11581911 0.76 RAB9A (0.33) RAB9ANPC1KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL27509106 0.74 RAB9A (0.33) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11317412 0.73 ACHE (0.50) RAB9AKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL3111620 0.72 RAB9A (0.46) RAB9ANPC1KMT2AMEN1HSP90AA1
SCHEMBL28145329 0.72 NPC1 (0.52) RAB9ANPC1KMT2AMEN1L3MBTL1
SCHEMBL11726779 0.72 SMN1; SMN2 (0.35) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11692257 0.71 TSHR (0.56) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL30474638 0.71 HDAC7 (0.44) RAB9ANPC1KMT2AMEN1L3MBTL1

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
US-4013631-A SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-22 — — US disclosed
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