SCHEMBL9759953

SCHEMBL9759953

O=C(O)Nc1ccc(Cc2ccccc2-n2ccnc2)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
CYP3A4 P08684 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
HTR5A P47898 1/20 0.37
ALDH1A1 P00352 2/20 0.36
WNT3A P56704 1/20 0.36
CTSA P10619 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP4Z1 Q86W10 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PORCN Q9H237 1/20 0.35
NAPEPLD Q6IQ20 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
SCHEMBL9760996 0.85 CYP3A4 (0.40) IDO1CYP3A4MEN1KMT2ANAMPT
SCHEMBL9195914 0.82 CYP3A4 (0.38) IDO1CYP3A4MEN1KMT2ANAMPT
SCHEMBL9193015 0.79 CREBBP (0.37) CYP3A4MEN1KMT2AALDH1A1
SCHEMBL9760168 0.76 IDO1 (0.39) IDO1CYP3A4MEN1KMT2AMAPK8
SCHEMBL10580662 0.75 HTT (0.42) IDO1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL9728652 0.75 CYP19A1 (0.41) IDO1CYP3A4MEN1KMT2AWNT3A
SCHEMBL9836179 0.75 IDO1 (0.53) IDO1CYP3A4MEN1KMT2AHTR5A
SCHEMBL8436958 0.74 IDO1 (0.61) IDO1CYP3A4MEN1KMT2AHTR5A
SCHEMBL9760689 0.74 CYP3A4 (0.39) IDO1CYP3A4MEN1KMT2AMAPK8
SCHEMBL9760105 0.73 IDO1 (0.41) IDO1CYP3A4MEN1KMT2AHTR5A

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-5037829-A Antitumor Activity; Androgen, Estrogen Inhibitors; Suppress The Plasma Elimination Of Retinoids JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-06 US disclosed