SCHEMBL9714927

SCHEMBL9714927

CCCCOC(=O)Cc1c(N)n[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 5/20 0.41
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
ALPL P05186 1/20 0.38

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
SCHEMBL9714958 0.90 SMN1; SMN2 (0.46) RAB9AHTTMAPK10SMN1; SMN2ALDH1A1
SCHEMBL9739282 0.89 HTT (0.57) RAB9AHTTMAPK10SMN1; SMN2ALDH1A1
SCHEMBL9714945 0.88 HSD17B10 (0.46) POLBHTTMAPK10SMN1; SMN2ALDH1A1
SCHEMBL9715038 0.84 L3MBTL1 (0.43) RAB9APOLBSMN1; SMN2ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9714943 0.84 L3MBTL1 (0.45) RAB9APOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9714952 0.83 LMNA (0.45) RAB9APOLBALDH1A1L3MBTL1TDP1
Hydrochloric Acid SCHEMBL9715094 0.75 LMNA (0.53) RAB9APOLBHTTMAPK10SMN1; SMN2
SCHEMBL20075139 0.74 IKBKB (0.50) HTTMAPK10SMN1; SMN2ALDH1A1TDP1
SCHEMBL9714924 0.74 HSD17B10 (0.41) HTTMAPK10SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9714991 0.73 HSD17B10 (0.40) HTTMAPK10SMN1; SMN2ALDH1A1KDM4E

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
US-5114944-A Anxiolytic and anticonvulsant agents; muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1992-05-19 US disclosed
US-5057534-A Anxiolytic, anticonfulsant and muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US disclosed