SCHEMBL28731979

SCHEMBL28731979

O=C(Nc1cccc2cscc12)Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.61
▸ MAOB P27338 1/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ HPGD P15428 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ RAD51 Q06609 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL1312094 0.83 TRPV1 (0.74) TRPV1MAOBNPC1RAB9ANPSR1
SCHEMBL8154848 0.81 TRPV1 (0.66) TRPV1MAOBNPC1RAB9ANPSR1
SCHEMBL3582762 0.76 TRPV1 (1.00) TRPV1RAB9AKMT2AMEN1KDM4E
SCHEMBL618043 0.75 TRPV1 (0.59) TRPV1KMT2AMEN1KDM4EALDH1A1
SCHEMBL28731984 0.74 HSP90AA1 (0.56) RAB9AKMT2AMEN1KDM4EALDH1A1
SCHEMBL11076373 0.73 KMT2A (0.58) TRPV1MAOBNPC1RAB9ANPSR1
SCHEMBL11179022 0.72 TRPV1 (0.59) TRPV1NPC1RAB9AKMT2AMEN1
SCHEMBL1837393 0.72 KMT2A (0.53) TRPV1MAOBNPC1RAB9ANPSR1
SCHEMBL1641651 0.72 KMT2A (0.55) TRPV1MAOBNPC1RAB9ANPSR1
SCHEMBL2398063 0.71 KDR (0.63) TRPV1NPC1RAB9ANPSR1KMT2A

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
CN-114479330-B Cellulose-based chiral optical composite film with strong circular dichroism luminescence performance and construction method 哈尔滨工程大学 2023-04-07 — — CN claimed
CN-114479330-A Cellulose-based chiral optical composite film with strong circular dichroism luminescence property and construction method thereof 哈尔滨工程大学 2022-05-13 — — CN claimed
CN-114479330-B Cellulose-based chiral optical composite film with strong circular dichroism luminescence performance and construction method 哈尔滨工程大学 2023-04-07 — — CN disclosed
CN-114479330-A Cellulose-based chiral optical composite film with strong circular dichroism luminescence property and construction method thereof 哈尔滨工程大学 2022-05-13 — — CN disclosed
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