SCHEMBL24254552

SCHEMBL24254552

CC(C)(C)C(=O)n1nc(-c2ccccc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.53
SMN1; SMN2 Q16637 9/20 0.50
HPGD P15428 5/20 0.50
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 6/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
LDHA P00338 1/20 0.44
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
ADORA1 P30542 1/20 0.42
STAT1 P42224 1/20 0.42

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
SCHEMBL9423275 0.81 SMN1; SMN2 (0.49) SMN1; SMN2HPGDKDM4EKMT2AALDH1A1
SCHEMBL2551230 0.78 KLK3 (0.52) F2SMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL9127293 0.74 SMN1; SMN2 (0.49) SMN1; SMN2HPGDKDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL9122448 0.73 SMN1; SMN2 (0.47) SMN1; SMN2HPGDKDM4EKMT2AALDH1A1
SCHEMBL4066437 0.72 ALDH1A1 (0.46) SMN1; SMN2HPGDKDM4EKMT2AALDH1A1
SCHEMBL4714412 0.72 SMN1; SMN2 (0.54) SMN1; SMN2HPGDKDM4EKMT2AALDH1A1
SCHEMBL167998 0.71 SMN1; SMN2 (0.56) SMN1; SMN2HPGDKDM4EKMT2AALDH1A1
SCHEMBL12285131 0.70 F2 (1.00) F2SMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL27139096 0.69 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EKMT2AALDH1A1TSHR
SCHEMBL2567843 0.69 KLK3 (0.67) F2KMT2ATSHRMAPTKLK3

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
WO-2022036033-A2 SOLID STATE FORMS OF AN ORGANIC COMPOUND SERVIER PHARMACEUTICALS, LLC (US) 2022-02-17 WO disclosed