SCHEMBL8044491

SCHEMBL8044491

CS(=O)(=O)c1cnc(Sc2nnc(Cc3ccccc3)s2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 4/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GGT1 P19440 1/20 0.36
PTGS2 P35354 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABL1 P00519 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LOXL2 Q9Y4K0 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
SCHEMBL8043963 0.89 ATM (0.42) LMNAHSD17B10ALDH1A1KMT2APOLB
SCHEMBL8043817 0.82 MAPK8 (0.37) ALDH1A1KMT2AMEN1NPC1NPSR1
SCHEMBL8042976 0.81 HDAC6 (0.43) LMNAALDH1A1KMT2APOLBMEN1
SCHEMBL8042354 0.81 MAPK8 (0.34) LOXL2
SCHEMBL8043583 0.80 AKT1 (0.33) LOXL2
SCHEMBL8048119 0.80 MAPK8 (0.38) ALDH1A1KMT2APOLBLOXL2
SCHEMBL8044752 0.79 MAPK8 (0.33) LOXL2
SCHEMBL8041884 0.79 MAPK8 (0.36) ALDH1A1TSHRNPC1RAB9ALOXL2
SCHEMBL8044039 0.79 ALDH1A1 (0.37) HSD17B10ALDH1A1TSHRKMT2APOLB
SCHEMBL8034366 0.78 ALDH1A1 (0.45) LMNAHSD17B10ALDH1A1TSHRKMT2A

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed