SCHEMBL29686705

SCHEMBL29686705

NC(=O)c1ccc(Nc2ccc(C(F)(F)F)nc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.50
HCAR3 P49019 1/20 0.44
GRM5 P41594 2/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL29447043 0.84 NNMT (0.55) NNMTGRM5KDM4E
SCHEMBL2516351 0.84 NNMT (0.55) NNMTGRM5KDM4E
Hydrochloric Acid SCHEMBL30478323 0.82 NNMT (0.53) NNMTGRM5KDM4E
Hydrochloric Acid SCHEMBL31575506 0.82 NNMT (0.53) NNMTGRM5KDM4E
Hydrochloric Acid SCHEMBL3494122 0.82 NNMT (0.53) NNMTGRM5KDM4E
SCHEMBL29039314 0.77 PTGS1 (0.59) NNMTCDK5CDK5R1POLB
SCHEMBL30490221 0.77 PTGS1 (0.59) NNMTCDK5CDK5R1POLB
SCHEMBL180474 0.76 ABL1 (0.48) ABL1BCRKDM4EALDH1A1
SCHEMBL26107386 0.76 ABL1 (0.48) ABL1BCRKDM4E
SCHEMBL14607583 0.75 HCAR3 (0.76) NNMTHCAR3GRM5JAK2JAK1

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
CN-116283954-A Hydroxamate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-23 CN disclosed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 WO disclosed