SCHEMBL5849946

SCHEMBL5849946

NC(=O)[CH]c1cccc(-c2cccnc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
DHODH Q02127 3/20 0.41
BACE1 P56817 9/20 0.40
CTSD P07339 8/20 0.40
BACE2 Q9Y5Z0 7/20 0.40
MAP4K4 O95819 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
MAPT P10636 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 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
SCHEMBL5680280 0.76 EPHB4 (0.45) CYP11B2DHODHBACE1CTSDBACE2
SCHEMBL944215 0.75 MKNK1 (0.44) CYP11B2DHODHBACE1CTSDBACE2
SCHEMBL26785258 0.73 MAP4K4 (0.69) CYP11B2BACE1CTSDBACE2MAP4K4
SCHEMBL5654405 0.73 MKNK1 (0.56) CYP11B2MKNK1MKNK2
SCHEMBL5675922 0.72 MAP4K4 (0.44) CYP11B2DHODHBACE1CTSDMAP4K4
SCHEMBL3875933 0.70 CYP11B2 (0.55) CYP11B2DHODHBACE1MAP4K4MAPT
SCHEMBL16675779 0.70 PRKCI (0.51) CYP11B2DHODHMAPTGSK3B
SCHEMBL5654037 0.70 PIM2 (0.67) CYP11B2BACE1BACE2
SCHEMBL2825728 0.69 NFE2L2 (0.56)
SCHEMBL3876408 0.69 DHODH (0.50) CYP11B2DHODHNAPRTMAPT

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
US-7144881-B2 Arylcyclopropylcarboxylic amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed