SCHEMBL29255012

SCHEMBL29255012

CC(C)(C)OC(=O)NC(CC(=O)O)Cc1nn[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.41
FFAR2 O15552 12/20 0.40
ATM Q13315 1/20 0.39
PIN1 Q13526 1/20 0.39
NAALAD2 Q9Y3Q0 3/20 0.39
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL16017462 0.82 NAALAD2 (0.49) NAALAD2KDM6BKDM4AKDM5A
SCHEMBL17477529 0.82 NAALAD2 (0.49) NAALAD2KDM6BKDM4AKDM5A
SCHEMBL29123561 0.79 KLK5 (0.42) FFAR2NAALAD2KDM6BKDM4AKDM5A
SCHEMBL30006166 0.79 KLK5 (0.42) FFAR2NAALAD2KDM6BKDM4AKDM5A
SCHEMBL28579113 0.78 ATM (0.47) ATM
SCHEMBL6684772 0.76 CA1 (0.49) ATMCA1CA2
SCHEMBL953399 0.75 NAALAD2 (0.67) NAALAD2CA12CA1CA2CA9
SCHEMBL953397 0.75 NAALAD2 (0.67) NAALAD2CA12CA1CA2CA9
SCHEMBL1304462 0.73 KDM4E (0.48) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL489489 0.72 ATM (0.70) ATM

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
CN-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 CN disclosed