SCHEMBL25612744

SCHEMBL25612744

Cc1sc2c(c1C)COc1ccsc1-2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.32
▸ NOS2 P35228 2/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL25748018 0.75 — —
SCHEMBL17963690 0.69 MAOB (0.34) NOS3NOS2NOS1TP53MAPT
SCHEMBL15763718 0.62 — —
SCHEMBL14832521 0.61 CYP2A6 (0.42) MAPTPKMHPGD
SCHEMBL25748023 0.60 — —
SCHEMBL25748468 0.60 KDM4E (0.33) MAPTHPGD
SCHEMBL13799478 0.56 CYP2A6 (0.41) MAPTPKMHPGD
SCHEMBL20561610 0.56 ITGB2 (0.41) NOS3NOS2NOS1PKMHPGD
SCHEMBL14053115 0.56 MEN1 (0.40) TP53MAPTHPGD
SCHEMBL26970887 0.55 ACE2 (0.38) NOS3NOS2NOS1

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
WO-2023100844-A1 COMPOUND AND PHOTOELECTRIC CONVERSION ELEMENT EMPLOYING SAME 住友化学株式会社 2023-06-08 — — WO disclosed
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