SCHEMBL28415110

SCHEMBL28415110

C=CC(=O)Nc1ccc2c(c1)C(=O)N(CCC)C2=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.57
▸ KDM4E B2RXH2 7/20 0.57
▸ HPGD P15428 5/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ TGM2 P21980 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RECQL P46063 1/20 0.44

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
SCHEMBL28416734 0.89 POLB (0.51) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL7951795 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL22080751 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL12235650 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL20123204 0.73 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL25597460 0.72 DDB1 (0.46) TGM2BRD4
SCHEMBL24168655 0.71 GRM5 (0.48) THRATHRB
SCHEMBL10779928 0.70 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL17481245 0.70 FTO (0.52) ALDH1A1KDM4ETGM2BRD4THRB
SCHEMBL5436492 0.70 POLB (0.77) ALDH1A1KDM4EHPGDNPC1RAB9A

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-111303005-A Coupling component containing phthalimide structure and preparation method and application thereof 乌海青石化学有限公司 2020-06-19 — — CN disclosed
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