SCHEMBL2852245

SCHEMBL2852245

COc1ccccc1C(=O)Nc1cc(-c2cccs2)nn1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 3/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ESR1 P03372 1/20 0.53
GAA P10253 1/20 0.53
TP53 P04637 1/20 0.52
LMNA P02545 3/20 0.48
NPC1 O15118 3/20 0.47
RECQL P46063 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
KDM1A O60341 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL2850458 0.82 MAPT (0.56) MAPTKMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL2850317 0.81 KDM1A (0.58) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2858757 0.79 MAPT (0.60) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL26673838 0.79 MAPT (0.51) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL13974535 0.77 ADORA2A (0.49) MEN1KMT2AKDM4ERAB9AHPGD
SCHEMBL2857557 0.76 BRPF1 (0.51) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL26673937 0.75 KCNK3 (0.60) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL26674014 0.75 KCNK3 (0.60) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL5924153 0.75 KDM1A (0.52) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL28399454 0.74 KCNK3 (0.51) MAPTMEN1KMT2ARAB9ASMN1; SMN2

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