SCHEMBL31548709

SCHEMBL31548709

C=C(C(N)=O)C1=CCc2ccccc2C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ PLD2 O14939 1/20 0.31
▸ PLD1 Q13393 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL8131373 0.76 CYP1A2 (0.39) CYP1A2PLD2PLD1KDM4EMEN1
SCHEMBL30640267 0.76 CYP1A2 (0.39) CYP1A2PLD2PLD1KDM4EMEN1
SCHEMBL461357 0.73 HDAC8 (0.42) CYP1A2PLD2PLD1SMN1; SMN2KDM4E
SCHEMBL260496 0.69 NOTUM (0.39) HTTSMN1; SMN2MEN1CYP3A4MAPT
Urea SCHEMBL6098803 0.68 CYP1A2 (0.52) CYP1A2KDM4EMEN1ALDH1A1CYP3A4
Urea SCHEMBL17710420 0.66 CYP1A2 (0.50) CYP1A2CYP3A4MAPTBLM
Acetamide SCHEMBL28035592 0.64 NOTUM (0.48) CYP1A2ALDH1A1CYP3A4MAPTBLM
SCHEMBL11106630 0.64 CYP1A2 (0.48) CYP1A2KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL20793908 0.63 HCAR2 (0.43) KDM4EALDH1A1MAPTKMT2A
SCHEMBL17183668 0.62 HTR2B (0.61) —

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-2025072687-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF GEOGRAPHIC ATROPHY Ocuphire Pharma, Inc. (US) 2025-04-03 — — WO disclosed
Send feedback