SCHEMBL9876491

SCHEMBL9876491

Cc1cc(CCCCCOc2ccc(C#N)cc2Cl)on1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.44
AR P10275 2/20 0.41
MRGPRX4 Q96LA9 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
S1PR4 O95977 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
NR1I2 O75469 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PDE5A O76074 1/20 0.35
MAPT P10636 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
SCHEMBL9862969 0.99 ICMT (0.44) ICMTARMRGPRX4MEN1KMT2A
SCHEMBL9211432 0.85 NR1I2 (0.41) MEN1KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL11035928 0.84 L3MBTL1 (0.48) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL9863089 0.84 MRGPRX4 (0.42) MRGPRX4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL8874236 0.83 MEN1 (0.42) ICMTMRGPRX4MEN1KMT2ACYP11B1
SCHEMBL11034112 0.83 CYP1A2 (0.46) MEN1KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL9666814 0.83 CYP1A2 (0.46) MEN1KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL9436179 0.83 CYP1A2 (0.46) MEN1KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL11031011 0.83 CYP1A2 (0.46) MEN1KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL9862918 0.82 CYP1A2 (0.47) MEN1KMT2ACYP11B1CYP11B2ALDH1A1

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-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed