SCHEMBL9714973

SCHEMBL9714973

Cc1ccc(-c2[nH]nc(N(C)C)c2CC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.40
TYMP P19971 1/20 0.39
DPP4 P27487 4/20 0.39
ALPL P05186 1/20 0.38
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
DPP9 Q86TI2 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PIM1 P11309 1/20 0.36
GSK3B P49841 1/20 0.34

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
Hydrochloric Acid SCHEMBL9714930 0.99 LMNA (0.41) LMNAPOLBTYMPDPP4ALPL
SCHEMBL9715021 0.88 PTGDR2 (0.39) TYMPALPLALDH1A1MAPTKDM4E
SCHEMBL9714916 0.88 LMNA (0.41) LMNATYMPALPLKDM4E
Hydrochloric Acid SCHEMBL9715064 0.86 PTGDR2 (0.39) TYMPALPLALDH1A1MAPTKDM4E
SCHEMBL9715039 0.85 LMNA (0.42) LMNAPOLBDPP4ALPLALDH1A1
SCHEMBL9714971 0.83 TSPO (0.46)
SCHEMBL9714924 0.80 HSD17B10 (0.41) LMNAALPLALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL9714991 0.79 HSD17B10 (0.40) LMNAALPLALDH1A1KMT2AMEN1
SCHEMBL9714951 0.74 P2RX7 (0.39) POLBMAPTKDM4E
Hydrochloric Acid SCHEMBL9714965 0.74 RAB9A (0.53) LMNAPOLBALPLALDH1A1KMT2A

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
WO-1992018484-A1 3-AMINO-5-ARYLPYRAZOLE-4-ACETIC ACID DERIVATIVES EXHIBITING THERAPEUTIC EFFECTS A.H. ROBINS COMPANY, INCORPORATED (US) 1992-10-29 WO disclosed
US-5057534-A Anxiolytic, anticonfulsant and muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US disclosed