SCHEMBL10324622

SCHEMBL10324622

COC(=O)c1ccc2c(c1)c(C)nn2-c1ccc(F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
CCR1 P32246 2/20 0.40
FGFR1 P11362 2/20 0.40
DYRK1A Q13627 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DHFR P00374 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRM1 P35372 1/20 0.38
SPR P35270 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL10325019 0.83 SCN9A (0.61) SCN9A
SCHEMBL10324080 0.82 L3MBTL1 (0.45) SCN9ACCR1POLBLMNAMAPT
SCHEMBL732578 0.81 KDM4E (0.57) FGFR1KDM4EALDH1A1POLBHPGD
SCHEMBL31633025 0.81 KMT2A (0.47) SCN9ACCR1FGFR1CYP11B1CYP11B2
SCHEMBL30204949 0.80 KDM4E (0.44) SCN9AFGFR1DYRK1AKDM4EALDH1A1
SCHEMBL30864300 0.80 KDM4E (0.44) SCN9AFGFR1DYRK1AKDM4EALDH1A1
SCHEMBL31632785 0.77 SPR (0.48) SCN9AFGFR1KDM4EALDH1A1POLB
SCHEMBL31633048 0.76 KMT2A (0.48) SCN9AFGFR1KDM4EPOLBLMNA
SCHEMBL18561359 0.73 ADORA2A (0.47) FGFR1DYRK1AKDM4EALDH1A1HPGD
SCHEMBL23535748 0.72 KDM4E (0.43) FGFR1DYRK1AKDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012095781-A1 INDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-07-19 WO disclosed
WO-2012095781-A1 INDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-07-19 WO disclosed