SCHEMBL9423275

SCHEMBL9423275

NC(=O)n1nc(-c2ccccc2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.49
KLK3 P07288 2/20 0.48
LDHA P00338 1/20 0.48
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
RAB9A P51151 6/20 0.45
TSHR P16473 1/20 0.45
GFER P55789 1/20 0.45
MAPT P10636 7/20 0.45
NPC1 O15118 5/20 0.45
KDM4E B2RXH2 4/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
ALOX12 P18054 1/20 0.44
STAT3 P40763 1/20 0.44
HPGD P15428 2/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL2551230 0.83 KLK3 (0.52) SMN1; SMN2KLK3LDHAALDH1A1KMT2A
SCHEMBL9423332 0.83 LMNA (0.49) SMN1; SMN2KLK3ALDH1A1MEN1KMT2A
SCHEMBL9127293 0.83 SMN1; SMN2 (0.49) SMN1; SMN2KLK3LDHAALDH1A1MEN1
Hydrochloric Acid SCHEMBL9122448 0.81 SMN1; SMN2 (0.47) SMN1; SMN2KLK3LDHAALDH1A1MEN1
SCHEMBL24254552 0.81 F2 (0.53) SMN1; SMN2KLK3LDHAALDH1A1MEN1
SCHEMBL15131264 0.76 GRM5 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2567843 0.76 KLK3 (0.67) KLK3KMT2ATSHRMAPT
SCHEMBL9423191 0.74 PTGS1 (0.56) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4066437 0.74 ALDH1A1 (0.46) SMN1; SMN2KLK3LDHAALDH1A1MEN1
SCHEMBL28319903 0.74 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A

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
US-5358947-A Treating hypertension, congestive heart failure AMERICAN CYANAMID COMPANY (US) 1994-10-25 US disclosed