SCHEMBL10339149

SCHEMBL10339149

SC(=Cc1ccccc1)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
STAT1 P42224 1/20 0.46
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NFKB1 P19838 2/20 0.40
PLA2G4A P47712 1/20 0.40
TP53 P04637 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CES1 P23141 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PDPK1 O15530 1/20 0.39
RBBP9 O75884 1/20 0.38
GRM5 P41594 1/20 0.35
PKM P14618 2/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL10339183 0.79 NPC1 (0.46) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL9332054 0.77 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL7688372 0.76 NPC1 (0.56) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL3652897 0.74 NPC1 (0.48) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL10339209 0.72 NPC1 (0.40) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL15525568 0.70 KMT2A (0.58) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL15525567 0.70 KMT2A (0.58) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL6154147 0.67 RBBP9 (0.49) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL6142534 0.67 RBBP9 (0.46) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL6142531 0.67 RBBP9 (0.46) NPC1RAB9ASMN1; SMN2STAT1KMT2A

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
JP-2169583-A None JP disclosed
JP-H02169583-A VINYLTHIAZOLE DERIVATIVE AND DRUG CONTAINING SAME DERIVATIVE AS ACTIVE INGREDIENT MITSUBISHI KASEI CORP 1990-06-29 JP disclosed