SCHEMBL11829765

SCHEMBL11829765

CC1=C(C)C(=NCl)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HTT P42858 4/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.42
▸ PKM P14618 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ XBP1 P17861 2/20 0.42
▸ MPI P34949 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ S1PR2 O95136 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL11422063 0.76 MAPT (0.42) MAPTALDH1A1HTTNPSR1PKM
SCHEMBL49743 0.76 MAOA (0.37) MAPTALDH1A1HTTNPSR1PKM
SCHEMBL7039952 0.68 IDO1 (0.38) MAPTALDH1A1LMNAMAPK1TDP1
SCHEMBL11815995 0.67 PABPC1 (0.46) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL8402800 0.67 IDO1 (0.36) IDO1TDO2NSD2DNMT1
SCHEMBL5517104 0.66 MAPT (0.39) MAPTALDH1A1HTTNPSR1PKM
SCHEMBL22642297 0.64 MAPT (0.32) MAPTALDH1A1HTTNPSR1PKM
SCHEMBL5612308 0.64 HPGD (0.38) MAPTALDH1A1LMNAMAPK1TDP1
SCHEMBL17581080 0.63 — —
SCHEMBL11835737 0.62 MAPT (0.42) MAPTALDH1A1HTTNPSR1PKM

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
US-3984402-A Indoanilines for dyeing keratinous fibers L'OREAL (FR) 1976-10-05 — — US disclosed
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