SCHEMBL18656137

SCHEMBL18656137

C=C/C=C(\N=C(C)C)c1cccc(C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ MDM4 O15151 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL25934773 0.84 MAPT (0.39) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL16958784 0.73 MAPT (0.42) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL24934193 0.70 SMN1; SMN2 (0.40) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL299924 0.70 MAPT (0.46) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL31529664 0.70 MAPT (0.46) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL10775625 0.69 SMN1; SMN2 (0.48) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL13305823 0.68 AKT1 (0.52) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL14094958 0.68 LMNA (0.36) MAPTSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL16939761 0.67 CASP3 (0.43) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL12759570 0.67 CASP3 (0.43) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4

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
EP-3144303-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2017-03-22 — — EP disclosed
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