SCHEMBL11325751

SCHEMBL11325751

COC(=O)c1c(N)ccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
GAA P10253 5/20 0.44
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 4/20 0.43
CFTR P13569 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 6/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
ALPL P05186 1/20 0.40
GLA P06280 2/20 0.40

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 SCHEMBL11327052 0.98 ABL1 (0.45) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL8295820 0.85 ABL1 (0.46) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL30279379 0.85 ABL1 (0.46) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL27474595 0.84 ABL1 (0.45) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL3133978 0.84 ABL1 (0.57) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL21435217 0.82 ABL1 (0.47) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL27248606 0.82 GAA (0.49) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL17376170 0.82 ABL1 (0.44) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL30582332 0.81 ABL1 (0.46) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL6137831 0.81 ABL1 (0.46) ABL1GAAALDH1A1HSD17B10CFTR

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
EP-0002624-B1 2-BENZAZEPINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-10-14 EP disclosed
EP-0002624-A1 2-Benzazepine compounds, processes for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-06-27 EP disclosed