SCHEMBL9724742

SCHEMBL9724742

CCCCCc1scc(C(=O)OC)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
KMT2A Q03164 2/20 0.42
CNR2 P34972 2/20 0.37
TLR8 Q9NR97 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 3/20 0.37
CFTR P13569 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 3/20 0.36
GRK6 P43250 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CHEK1 O14757 1/20 0.35

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
SCHEMBL11110073 0.95 KDM4E (0.43) KDM4EKMT2ATLR8ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL11110068 0.94 KDM4E (0.42) KDM4EKMT2ATLR8ALDH1A1HSD17B10
SCHEMBL3216608 0.89 KDM4E (0.44) KDM4EKMT2AALDH1A1HSD17B10CFTR
Hydrochloric Acid SCHEMBL11104467 0.88 KDM4E (0.43) KDM4EKMT2AALDH1A1HSD17B10CFTR
SCHEMBL11255526 0.85 HPGD (0.41) KDM4EKMT2AALDH1A1HSD17B10CFTR
SCHEMBL11259455 0.85 SMN1; SMN2 (0.41) KDM4EALDH1A1HSD17B10CFTRCYP1A2
SCHEMBL9686955 0.84 PPARA (0.41) TSHRGPR35
SCHEMBL3199571 0.82 KDM4E (0.43) KDM4EKMT2AALDH1A1HSD17B10CFTR
Hydrochloric Acid SCHEMBL11107107 0.81 KDM4E (0.42) KDM4EKMT2AALDH1A1HSD17B10CFTR
SCHEMBL3219948 0.75 HSP90AA1 (0.48) KMT2AALDH1A1HSD17B10CYP1A2SMN1; SMN2

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
US-5118688-A TETRAHYDROPYRIDOQUINOLONE DERIVATIVES USEFUL AS ANXIOLYTIC AGENTS ICI AMERICAS INC. (US) 1992-06-02 US disclosed
US-4975435-A Certain 1H-pyrrold[3,4-b]quinolin-1-one-9-amino-2,3-dihydro derivatives useful for treating anxiety ICI AMERICAS INC. (US) 1990-12-04 US disclosed