SCHEMBL14760384

SCHEMBL14760384

COCc1ccccc1-c1cc2cnccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F3 P13726 11/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
F2 P00734 2/20 0.41
TRPA1 O75762 1/20 0.40
CYP19A1 P11511 1/20 0.40
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CLK2 P49760 2/20 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
SCHEMBL26087484 0.82 F3 (0.48) F3F2F10PRSS1PRSS2
SCHEMBL26089278 0.80 KDM4E (0.68) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL7713633 0.77 RIPK1 (0.58) GSK3B
SCHEMBL26088530 0.75 LOXL2 (0.47) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL22128259 0.75 KDM4E (0.43) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL29871364 0.75 F3 (0.48) F3F2TRPA1CYP19A1F10
SCHEMBL3837963 0.75 F3 (0.48) F3F2TRPA1CYP19A1F10
SCHEMBL26086870 0.74 F3 (0.47) KMT2AF3F2F10PRSS1
SCHEMBL26088542 0.71 DAO (0.43) KDM4EALDH1A1HPGDSMN1; SMN2F3
SCHEMBL28317738 0.71 TRPA1 (0.50) F3F2TRPA1CYP19A1F10

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-2566481-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH Merck Sharp & Dohme Corp. (US) 2013-03-13 EP disclosed