SCHEMBL2787147

SCHEMBL2787147

COc1cccc2onc(SNC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
RAB9A P51151 1/20 0.48
RAF1 P04049 6/20 0.48
KDR P35968 5/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
AURKA O14965 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA5 O75582 1/20 0.46
NTRK1 P04629 1/20 0.46
LCK P06239 1/20 0.46
CSF1R P07333 1/20 0.46
LYN P07948 1/20 0.46
RET P07949 1/20 0.46
KIT P10721 1/20 0.46
FGFR1 P11362 1/20 0.46
FER P16591 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
SCHEMBL2785337 0.79 ALDH1A1 (0.46) MAPTLMNAGAARAB9AKDR
SCHEMBL2769617 0.78 KDR (0.53) BRAFMAPTLMNAGAARAB9A
SCHEMBL2785082 0.78 NPC1 (0.55) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL2785931 0.77 GHSR (0.47) MAPTLMNAGAARAB9AKDR
SCHEMBL2788689 0.74 POLB (0.52) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL2786524 0.73 HIF1A (0.40) MAPTLMNAGAARAB9ARAF1
SCHEMBL22339322 0.72 MAPT (0.69) BRAFMAPTLMNAGAARAB9A
SCHEMBL2786203 0.72 MAPT (0.48) MAPTGAARAB9AAURKAROCK2
SCHEMBL19668140 0.71 KDR (0.74) BRAFMAPTLMNAGAARAB9A
SCHEMBL2769621 0.71 KCNA5 (0.41) BRAFMAPTLMNAGAARAB9A

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-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed