SCHEMBL11248712

SCHEMBL11248712

N=C1C=CC(=O)C(NCCO)=C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CDC25A P30304 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
SCHEMBL10806369 0.82 MAPT (0.42) TP53CYP3A4MAPTCASP1BLM
SCHEMBL5158945 0.78 MAPT (0.51) TP53CYP3A4MAPTCASP1BLM
SCHEMBL11252306 0.68 TDP1 (0.40) TP53CYP3A4MAPTSMN1; SMN2
SCHEMBL15630516 0.66 ALDH1A1 (0.36) MAPTCASP1BLM
SCHEMBL11681681 0.65 KDM4E (0.42) MAPTSMN1; SMN2
SCHEMBL21814428 0.63 ACHE (0.40) MAPT
SCHEMBL15022768 0.62 DNM1 (0.71) TP53CYP3A4MAPTCASP1BLM
SCHEMBL15022915 0.61 DNM1 (0.50) TP53CYP3A4MAPTCASP1BLM
SCHEMBL14764737 0.61 MAPT (0.68) TP53CYP3A4MAPTCASP1BLM
SCHEMBL21814456 0.60 ALDH1A1 (0.51) CYP3A4MAPTSMN1; SMN2

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
US-4361516-A N-Monosubstituted indoanilines SOCIETE ANONYME DITE: L'OREAL (FR) 1982-11-30 — — US disclosed
US-4008999-A N,N-dialkylamino diphenylamines for dyeing keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1977-02-22 — — US disclosed
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