SCHEMBL28722559

SCHEMBL28722559

COc1ccc2c(c1)N(Cc1ccccc1)CCN2C(=O)Nc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.53
▸ ALDH1A1 P00352 7/20 0.53
▸ POLB P06746 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ TRPV1 Q8NER1 1/20 0.49
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.45
▸ HCRTR1 O43613 1/20 0.44
▸ HCRTR2 O43614 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28707706 0.88 ALDH1A1 (0.51) KDM4EALDH1A1MAPK1TRPV1KMT2A
SCHEMBL28718309 0.88 BRD4 (0.47) ALDH1A1TRPV1KMT2AMEN1BRD4
SCHEMBL29670971 0.86 ALDH1A1 (0.56) ALDH1A1POLBALOX15MAPK1KMT2A
SCHEMBL28718274 0.86 ALDH1A1 (0.56) ALDH1A1POLBALOX15MAPK1KMT2A
SCHEMBL28715966 0.85 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10LMNAUSP2
SCHEMBL28707698 0.85 MAPT (0.54) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL28707700 0.85 GAA (0.48) KDM4EALDH1A1POLBLMNATRPV1
SCHEMBL28714011 0.84 BRD4 (0.47) LMNATRPV1BRD4SMN1; SMN2
SCHEMBL29670959 0.84 BRD4 (0.47) LMNATRPV1BRD4SMN1; SMN2
SCHEMBL28705613 0.83 BRD4 (0.50) KDM4EALDH1A1HSD17B10TRPV1BRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276303-B Ureido compounds or pharmaceutically acceptable salts thereof, and preparation method and application thereof 河南大学 2023-09-22 — — CN disclosed
CN-114276303-A Ureido compound or its medicinal salt and its preparing process and application 河南大学 2022-04-05 — — CN disclosed
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