SCHEMBL29466151

SCHEMBL29466151

Cc1ccc2nc(-c3ccc(NC(=O)CCl)cc3)sc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.74
NPC1 O15118 12/20 0.71
RAB9A P51151 12/20 0.71
KDM4E B2RXH2 8/20 0.71
ALDH1A1 P00352 8/20 0.71
MAPT P10636 10/20 0.69
TP53 P04637 3/20 0.69
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
HPGD P15428 6/20 0.66
NFKB1 P19838 2/20 0.66
NFKB2 Q00653 2/20 0.66
RELA Q04206 2/20 0.66
RORC P51449 1/20 0.66
THRB P10828 1/20 0.66
NPSR1 Q6W5P4 2/20 0.65
RXFP1 Q9HBX9 1/20 0.65
HTT P42858 1/20 0.65
LMNA P02545 1/20 0.64
CASP3 P42574 1/20 0.64

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
SCHEMBL28669948 1.00 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL10599193 0.89 NPC1 (0.80) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL591019 0.88 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL24185813 0.87 SMN1; SMN2 (0.87) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL27451359 0.85 NPC1 (0.68) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL3932997 0.85 MAPT (0.78) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2249955 0.84 NPC1 (0.82) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL27451198 0.84 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL19287154 0.84 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL27451776 0.84 NPC1 (0.66) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1

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-113666886-B Antibacterial spandex fiber for diaper and preparation method thereof 诸暨华海氨纶有限公司 2022-03-29 CN disclosed