SCHEMBL19964478

SCHEMBL19964478

NCc1cc2cc(-c3cncc(O)c3)ccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 1.00
HSD17B1 P14061 1/20 0.51
CDK5 Q00535 5/20 0.47
CDK5R1 Q15078 5/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
IDO1 P14902 2/20 0.41
TDO2 P48775 1/20 0.39
CDK7 P50613 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL19953228 0.91 LOXL2 (0.82) LOXL2HSD17B1CDK5CDK5R1PRMT5
SCHEMBL19953274 0.79 LOXL2 (0.65) LOXL2CYP11B1CYP11B2IDO1
SCHEMBL19953230 0.78 LOXL2 (0.63) LOXL2CYP11B1CYP11B2
SCHEMBL19953229 0.75 LOXL2 (0.60) LOXL2CDK5CDK5R1PRMT5WDR77
SCHEMBL19953219 0.74 LOXL2 (0.60) LOXL2PRMT5WDR77
SCHEMBL19953414 0.73 LOXL2 (0.57) LOXL2IDO1
SCHEMBL19953383 0.72 LOXL2 (0.56) LOXL2PRMT5WDR77CYP11B1CYP11B2
SCHEMBL19953329 0.71 LOXL2 (1.00) LOXL2PRMT5WDR77
Hydrochloric Acid SCHEMBL19954808 0.71 LOXL2 (0.55) LOXL2PRMT5WDR77CYP11B1CYP11B2
SCHEMBL19964757 0.70 LOXL2 (1.00) LOXL2HSD17B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed