SCHEMBL14720160

SCHEMBL14720160

c1csc(-c2ccc(-c3ccc4[nH]cnc4c3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.48
PDPK1 O15530 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
ADRB2 P07550 1/20 0.42
PARP1 P09874 1/20 0.41
QPCTL Q9NXS2 2/20 0.39
CYP2A6 P11509 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CDC7 O00311 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMPD3 Q9NY59 1/20 0.35
KDR P35968 1/20 0.35
ABL1 P00519 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
SCHEMBL21774217 0.83 QPCT (0.43) QPCTPDPK1LOXL2ADRB2PARP1
SCHEMBL21774216 0.81 LOXL2 (0.46) QPCTPDPK1LOXL2ADRB2PARP1
SCHEMBL6008269 0.80 MAPT (0.50) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL31143361 0.80 MAPT (0.50) QPCTQPCTLKDM4EALDH1A1MAPT
2-Phenylthiazole SCHEMBL2137280 0.79 PDPK1 (0.64) QPCTPDPK1LOXL2ADRB2PARP1
SCHEMBL7021134 0.77 QPCT (0.49) QPCTPDPK1QPCTLKDM4EALDH1A1
SCHEMBL2455186 0.76 QPCT (0.46) QPCTQPCTLCYP2A6KDM4EALDH1A1
SCHEMBL21793703 0.76 LOXL2 (0.41) QPCTPDPK1LOXL2ADRB2QPCTL
SCHEMBL21774313 0.75 QPCT (0.38) QPCTPDPK1LOXL2ADRB2TLR8
SCHEMBL2457365 0.75 QPCT (0.50) QPCTPDPK1PARP1QPCTLKDM4E

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-2013028483-A1 IMPROVED SIZING AND RHEOLOGY AGENTS FOR GYPSUM STUCCO SYSTEMS FOR WATER RESISTANT PANEL PRODUCTION MOMENTIVE SPECIALTY CHEMICALS INC. (US) 2013-02-28 WO disclosed