SCHEMBL4958183

SCHEMBL4958183

[CH2]CNC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.58
EPHX2 P34913 5/20 0.53
NR1H4 Q96RI1 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.49
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MITF O75030 1/20 0.47
POLB P06746 1/20 0.46
FFAR1 O14842 1/20 0.46
FAAH O00519 1/20 0.45
HPSE Q9Y251 1/20 0.45
PTPN11 Q06124 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL1232715 0.82 EPHX1 (0.64) EPHX2MEN1KMT2AALDH1A1POLB
SCHEMBL4745756 0.82 EPHX2 (0.71) EPHX2NR1H4MEN1KMT2AALDH1A1
SCHEMBL13614142 0.81 NAMPT (0.58) NAMPTEPHX2NR1H4MEN1KMT2A
SCHEMBL4745789 0.81 MAOA (0.57) EPHX2NR1H4MEN1KMT2AALDH1A1
SCHEMBL1232566 0.79 RAB9A (0.57) NAMPTMEN1KMT2AALDH1A1CA12
SCHEMBL6025181 0.79 CNR1 (0.62) NAMPTMEN1KMT2AALDH1A1POLB
SCHEMBL27183437 0.79 S1PR1 (0.57) NAMPTEPHX2NR1H4MEN1KMT2A
SCHEMBL3762312 0.79 MEN1 (0.62) NAMPTEPHX2NR1H4MEN1KMT2A
SCHEMBL5541772 0.77 EPHX2 (0.61) NAMPTEPHX2NR1H4MEN1KMT2A
SCHEMBL20389088 0.77 NAMPT (0.75) NAMPTMEN1KMT2ACA12CA2

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-20080206670-A1 INFRARED LASER-SENSITIVE PLANOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-08-28 US disclosed