SCHEMBL17368871

SCHEMBL17368871

c1ccc(-c2cc3c(s2)-c2sccc2C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 2/20 0.40
▸ PTP4A2 Q12974 1/20 0.38
▸ PTP4A1 Q93096 1/20 0.38
▸ HSD17B1 P14061 3/20 0.37
▸ IKBKB O14920 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL14960830 0.91 HSD17B1 (0.39) PTP4A3PTP4A2PTP4A1HSD17B1MAPK1
SCHEMBL16546079 0.73 HSD17B1 (0.41) PTP4A3PTP4A2PTP4A1HSD17B1IKBKB
SCHEMBL50205 0.73 NOS2 (0.41) KMT2ANOS3NOS2
SCHEMBL15274310 0.72 NOS3 (0.32) NOS3NOS2
SCHEMBL23568684 0.71 HSP90AA1 (0.41) PTP4A3PTP4A2PTP4A1HSD17B1ALDH1A1
SCHEMBL23568683 0.71 HSD17B1 (0.36) PTP4A3PTP4A2PTP4A1HSD17B1IKBKB
SCHEMBL16546095 0.69 — —
SCHEMBL16532198 0.68 PTP4A3 (0.41) PTP4A3PTP4A2PTP4A1HSD17B1ALDH1A1
SCHEMBL20275940 0.67 MKNK1 (0.35) HSD17B1IKBKBALDH1A1MAPK1POLB
SCHEMBL16532203 0.67 PTP4A3 (0.40) PTP4A3PTP4A2PTP4A1HSD17B1IKBKB

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-20150380171-A1 CARRIER SYSTEM AND PHOTOELECTRIC CONVERSION DEVICE ADEKA CORPORATION (JP) 2015-12-31 — — US disclosed
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