SCHEMBL10064523

SCHEMBL10064523

Cc1nnc(-c2cccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CACNA2D1 P54289 6/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CACNA2D2 Q9NY47 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 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
SCHEMBL10299024 0.88 NPC1 (0.47) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL10064602 0.85 CACNA2D1 (0.33) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL21312049 0.85 KDM4E (0.48) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL9956092 0.84 KDM4E (0.41) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL2729098 0.83 KDM4E (0.50) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL10001253 0.83 S1PR1 (0.45) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL11934023 0.83 SMN1; SMN2 (0.61) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL4651756 0.83 NPC1 (0.52) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL10820029 0.82 SMN1; SMN2 (0.52) NPC1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL10820027 0.82 NPC1 (0.56) NPC1HPGDRAB9ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190259964-A1 ORGANIC SEMICONDUCTOR COMPOSITION AND SEMICONDUCTING LAYER OBTAINED THEREFROM SOLVAY SA (BE) 2019-08-22 — — US disclosed
WO-2017216168-A1 ORGANIC SEMICONDUCTOR COMPOSITION AND SEMICONDUCTING LAYER OBTAINED THEREFROM SOLVAY SA (BE) 2017-12-21 — — WO disclosed
EP-3257849-A1 ORGANIC SEMICONDUCTOR COMPOSITION AND SEMICONDUCTING LAYER OBTAINED THEREFROM Solvay SA (BE) 2017-12-20 — — EP disclosed
WO-2012088316-A1 2-ALKYL-5-PHENYL OXADIAZOLE-CARBAZOLE HOSTS FOR GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-06-28 — — WO disclosed
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