SCHEMBL2851002

SCHEMBL2851002

Cc1c(OC(=O)NCc2ccc3c(c2)OCO3)cnn1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 2/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.48
SMO Q99835 1/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.45
CRHBP P24387 1/20 0.45
RECQL P46063 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL2848480 0.91 ALDH1A1 (0.61) SMN1; SMN2L3MBTL1ALDH1A1HTTMAPK1
SCHEMBL2857766 0.90 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1HTTKMT2AHPGD
SCHEMBL2854686 0.87 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1ALDH1A1HTTMAPK1
SCHEMBL2863134 0.86 CCR1 (0.48) SMN1; SMN2ALDH1A1MAPK1SMOHPGD
SCHEMBL2857180 0.81 NPSR1 (0.53) MAPK1RAB9APOLBSMOTP53
SCHEMBL2853267 0.81 HPGD (0.55) SMN1; SMN2ALDH1A1MAPK1RAB9ASMO
SCHEMBL2853344 0.81 HPGD (0.55) SMN1; SMN2ALDH1A1MAPK1RAB9AKMT2A
SCHEMBL2854802 0.81 LMNA (0.48) L3MBTL1ALDH1A1KMT2APOLBTP53
SCHEMBL2856388 0.80 TRPV1 (0.51) SMN1; SMN2L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL2863326 0.80 TP53 (0.53) SMN1; SMN2ALDH1A1HTTKMT2AHPGD

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed