SCHEMBL28299745

SCHEMBL28299745

O=C(O)c1cccc(-c2ccccc2)c1Cc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.50
▸ HNF4A P41235 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ FABP3 P05413 1/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN6 P29350 1/20 0.39

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
SCHEMBL28299750 0.85 TSHR (0.45) CYP2C9LMNAALOX15MEN1KMT2A
SCHEMBL28301536 0.79 CYP2C9 (0.52) CYP2C9LMNAALOX15MEN1KMT2A
SCHEMBL3843396 0.76 HNF4A (0.61) HNF4ALMNAALOX15MEN1KMT2A
SCHEMBL2863351 0.75 CYP2C9 (0.67) CYP2C9LMNAALOX15MEN1KMT2A
SCHEMBL6753122 0.74 CYP2C9 (0.50) CYP2C9LMNAMEN1KMT2ACYP2C19
SCHEMBL10984209 0.73 HNF4A (0.58) HNF4ALMNAALOX15MEN1KMT2A
SCHEMBL8415183 0.73 HNF4A (0.58) HNF4ALMNAALOX15MEN1KMT2A
SCHEMBL8368463 0.73 HNF4A (0.58) HNF4ALMNAALOX15MEN1KMT2A
SCHEMBL28298455 0.72 CYP2C9 (0.51) CYP2C9LMNAALOX15MEN1KMT2A
SCHEMBL29883661 0.72 CYP2C9 (0.51) CYP2C9LMNAALOX15MEN1KMT2A

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
CN-109721615-A Inhibitors of influenza viruses replication and application thereof 广东东阳光药业有限公司 2019-05-07 — — CN disclosed
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