SCHEMBL16448997

SCHEMBL16448997

CCCOCCNC(=O)c1cc(F)cc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NAMPT P43490 1/20 0.45
CHRM1 P11229 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 2/20 0.40
KAT6A Q92794 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12584132 0.87 SMN1; SMN2 (0.59) SMN1; SMN2NAMPTMEN1KMT2AGAA
SCHEMBL16448996 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NAMPTLMNAGAAMAPT
SCHEMBL16448995 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NAMPTMEN1KMT2AGAA
SCHEMBL13753139 0.83 L3MBTL1 (0.53) SMN1; SMN2NAMPTCHRM1MEN1KMT2A
SCHEMBL17905724 0.79 MLYCD (0.59) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL22221700 0.78 MLYCD (0.61) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL12445445 0.78 SMN1; SMN2 (0.81) SMN1; SMN2NAMPTMEN1KMT2ALMNA
SCHEMBL17449186 0.77 L3MBTL1 (0.44) SMN1; SMN2NAMPTMEN1KMT2ALMNA
SCHEMBL12893204 0.76 PLK1 (0.59) SMN1; SMN2NAMPTKMT2AHTTMAPT
SCHEMBL16361209 0.76 SMN1; SMN2 (0.84) SMN1; SMN2NAMPTMEN1KMT2ALMNA

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-8952150-B2 Prostaglandin transporter inhibitors and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-02-10 US disclosed