SCHEMBL13325941

SCHEMBL13325941

c1ccc(-c2nc3ccccn3c2-c2cccs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ AKT1 P31749 1/20 0.48
▸ AKT2 P31751 1/20 0.48
▸ GABRD O14764 1/20 0.46
▸ GABRB1 P18505 1/20 0.46
▸ GABRA4 P48169 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ MEN1 O00255 2/20 0.46

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
SCHEMBL5347018 0.81 NPC1 (0.66) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL19953862 0.78 AKT1 (0.66) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL13599904 0.78 AKT1 (0.66) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL28373241 0.76 NR1H4 (0.56) NR1H4NPC1RAB9AKMT2AALDH1A1
SCHEMBL24479406 0.75 AKT1 (0.63) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL15382793 0.75 AKT1 (0.63) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL22673418 0.75 AKT1 (0.63) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL25789353 0.75 AKT1 (0.63) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL28373238 0.75 NR1H4 (0.55) NR1H4NPC1KMT2AALDH1A1KDM4E
SCHEMBL13131134 0.74 AKT1 (0.58) NPC1RAB9AALDH1A1KDM4EHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 — — US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 — — US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 — — US disclosed
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