SCHEMBL9603796

SCHEMBL9603796

C=CCN(CC=C)Cc1ccc(NC(C)=O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.40
BRD4 O60885 1/20 0.40
NR1I2 O75469 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MB P02144 1/20 0.40
CYP1A1 P04798 1/20 0.40
CA3 P07451 1/20 0.40
CYP3A4 P08684 1/20 0.40
RARG P13631 1/20 0.40
TSHR P16473 1/20 0.40
ALOX5AP P20292 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL5837263 0.84 POLB (0.54) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL4983137 0.82 POLB (0.51) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL10445580 0.82 POLB (0.48) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL29939067 0.81 POLB (0.53) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL9582949 0.81 POLB (0.53) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL15279552 0.80 POLB (0.49) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL2855498 0.77 POLB (0.63) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL30780902 0.75 POLB (0.53) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL30230771 0.74 POLB (0.63) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL8205051 0.74 GABRA1 (0.53) POLBPKMSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183941-A Aminophenol CLAIROL INCORPORATED (US) 1993-02-02 US disclosed
US-5073173-A Oxidative hair dye mixture CLAIROL INCORPORATED (US) 1991-12-17 US disclosed
EP-0398702-A2 Dye couplers Bristol-Myers Squibb Company (US) 1990-11-22 EP disclosed