SCHEMBL2862835

SCHEMBL2862835

O=C(NCc1ccc2c(c1)OCO2)Oc1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 5/20 0.49
POLB P06746 3/20 0.49
MAPT P10636 5/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HTT P42858 1/20 0.46
CCR1 P32246 1/20 0.45
ALOX12 P18054 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2854686 0.89 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL2856388 0.89 TRPV1 (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL2848518 0.88 ALDH1A1 (0.58) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL2863326 0.87 TP53 (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL2850427 0.87 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL2854333 0.86 RAB9A (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL2856212 0.85 CCR1 (0.47) SMN1; SMN2MAPTCCR1NPC1RAB9A
SCHEMBL2854244 0.84 ACHE (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL2858076 0.84 MAPT (0.56) MAPTCCR1NPC1RAB9ANPSR1
SCHEMBL2861197 0.83 CCR1 (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1POLB

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