SCHEMBL9714918

SCHEMBL9714918

CCOC(=O)Cc1c(N)n[nH]c1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
HSD17B10 Q99714 3/20 0.51
MAPK1 P28482 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK10 P53779 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44

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 SCHEMBL9715094 0.99 LMNA (0.53) LMNAHSD17B10MAPK1USP2TSHR
SCHEMBL9714922 0.90 ALDH1A1 (0.44) LMNAHSD17B10MAPK1USP2TSHR
SCHEMBL9714945 0.88 HSD17B10 (0.46) LMNAHSD17B10MAPK1USP2TSHR
SCHEMBL509233 0.85 LMNA (0.55) LMNAHSD17B10MAPK1USP2TSHR
SCHEMBL9714950 0.82 MAPK1 (0.53) LMNAHSD17B10MAPK1TSHRKDM4E
SCHEMBL9714958 0.79 SMN1; SMN2 (0.46) LMNAHSD17B10TSHRKDM4ESMN1; SMN2
SCHEMBL9714927 0.76 RAB9A (0.44) HSD17B10TSHRKDM4ESMN1; SMN2HTT
SCHEMBL9739282 0.76 HTT (0.57) LMNAHSD17B10KDM4ESMN1; SMN2HTT
SCHEMBL11204635 0.75 SMN1; SMN2 (0.51) LMNAHSD17B10MAPK1USP2TSHR
SCHEMBL9536890 0.74 LMNA (0.62) LMNAHSD17B10MAPK1USP2TSHR

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 4 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 claimed
US-5057534-A Anxiolytic, anticonfulsant and muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US claimed
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