SCHEMBL2852316

SCHEMBL2852316

O=C(NCCc1cccs1)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 4/20 0.42
CNR1 P21554 3/20 0.41
TRPV1 Q8NER1 2/20 0.40
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL2857827 0.90 MEN1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2880891 0.85 CNR1 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2856146 0.84 CNR1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2859098 0.82 NPC1 (0.47) NPC1RAB9ATAAR1SMN1; SMN2MEN1
SCHEMBL2852504 0.82 CNR1 (0.56) NPC1RAB9ALMNANPSR1MAPT
SCHEMBL2855610 0.81 CNR1 (0.58) NPC1RAB9ASMN1; SMN2KMT2ANPSR1
SCHEMBL2857734 0.81 CNR1 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2855846 0.81 CNR1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2860983 0.80 MAPT (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2858063 0.80 MAPT (0.57) NPC1RAB9ASMN1; SMN2LMNANPSR1

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 disclosed