SCHEMBL8907157

SCHEMBL8907157

Cc1ccc(C(=S)c2c(C)cc(Cc3ccc(=O)[nH]n3)n2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 3/20 0.33
ABCB11 O95342 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP1A2 P05177 3/20 0.32
KDM4E B2RXH2 2/20 0.32
AKR1B1 P15121 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOTUM Q6P988 1/20 0.31
NTRK1 P04629 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
SCHEMBL8293709 0.88 PTGS2 (0.46) LMNAKMT2AMEN1POLBABCB11
SCHEMBL8904617 0.82 AKR1B1 (0.39) LMNAKMT2AMEN1POLBPTGS2
SCHEMBL8906334 0.79 PTGS2 (0.39) LMNAKMT2AMEN1ABCB11PTGS2
SCHEMBL2128672 0.79 ABCB11 (0.58) LMNAKMT2AMEN1ABCB11PTGS2
SCHEMBL8905879 0.79 ABCB11 (0.44) LMNAKMT2AMEN1POLBABCB11
SCHEMBL8905945 0.79 ABCB11 (0.44) LMNAKMT2AMEN1ABCB11PTGS2
SCHEMBL8905668 0.79 ABCB11 (0.46) LMNAABCB11PTGS2CYP2C9CYP2C19
SCHEMBL8906143 0.78 ABCB11 (0.43) LMNAKMT2AMEN1POLBABCB11
SCHEMBL8904955 0.78 MEN1 (0.35) LMNAKMT2AMEN1POLBABCB11
SCHEMBL9030442 0.78 ABCB11 (0.42) LMNAKMT2AMEN1POLBABCB11

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-5622948-A ANALGESICS SYNTEX (U.S.A.) INC. (US) 1997-04-22 US disclosed