SCHEMBL29670965

SCHEMBL29670965

CCNC(=O)N1CCN(Cc2ccccc2)c2cc(OC)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.50
▸ MAPT P10636 3/20 0.46
▸ MTNR1A P48039 3/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ FAAH O00519 1/20 0.42
▸ CACNA1G O43497 1/20 0.42
▸ CACNA1H O95180 1/20 0.42
▸ CACNA1I Q9P0X4 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALOX12 P18054 1/20 0.42

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
SCHEMBL28705613 1.00 BRD4 (0.50) BRD4MAPTMTNR1ATRPV1HDAC1
SCHEMBL28719013 0.89 BRD4 (0.48) BRD4MAPTMTNR1ATRPV1HDAC1
SCHEMBL28707698 0.87 MAPT (0.54) BRD4MAPTFAAHCACNA1GCACNA1H
SCHEMBL28937209 0.86 BRD4 (0.49) BRD4MAPTTRPV1HDAC1HDAC6
SCHEMBL29670961 0.86 BRD4 (0.49) BRD4MAPTTRPV1HDAC1HDAC6
SCHEMBL28715966 0.85 ALDH1A1 (0.55) MAPTFAAHCACNA1GCACNA1HCACNA1I
SCHEMBL29670971 0.84 ALDH1A1 (0.56) BRD4MAPTALDH1A1TP53
SCHEMBL28718274 0.84 ALDH1A1 (0.56) BRD4MAPTALDH1A1TP53
SCHEMBL29670959 0.84 BRD4 (0.47) BRD4MAPTTRPV1HDAC1HDAC6
SCHEMBL28707706 0.84 ALDH1A1 (0.51) BRD4MAPTTRPV1FAAHKDM4E

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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