SCHEMBL19953229

SCHEMBL19953229

NCc1cc2cc(-c3cncc(OC(=O)C(F)(F)F)c3)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.60
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
MMP2 P08253 2/20 0.36
MMP13 P45452 2/20 0.36
MMP14 P50281 2/20 0.36
IDO1 P14902 1/20 0.36
FDPS P14324 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CDK7 P50613 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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 0.81 LOXL2 (0.82) LOXL2PRMT5WDR77MMP2MMP13
SCHEMBL19964478 0.75 LOXL2 (1.00) LOXL2PRMT5WDR77IDO1CDK5
SCHEMBL19953230 0.75 LOXL2 (0.63) LOXL2MMP2MMP13MMP14CYP1A2
SCHEMBL30880110 0.69 LOXL2 (0.61) LOXL2
SCHEMBL27195629 0.69 LOXL2 (0.61) LOXL2
SCHEMBL30880109 0.69 LOXL2 (0.57) LOXL2
SCHEMBL27195628 0.69 LOXL2 (0.57) LOXL2
SCHEMBL19953274 0.69 LOXL2 (0.65) LOXL2MMP2MMP13MMP14IDO1
Trifluoroacetic Acid SCHEMBL6066580 0.68 DAO (0.46) LOXL2CYP2C9
SCHEMBL19953414 0.67 LOXL2 (0.57) LOXL2IDO1

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