SCHEMBL19953230

SCHEMBL19953230

COC(=O)c1cncc(-c2ccc3[nH]c(CN)cc3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 8/20 0.63
CYP11B1 P15538 5/20 0.57
CYP11B2 P19099 5/20 0.57
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP19A1 P11511 1/20 0.43
MMP2 P08253 3/20 0.43
MMP13 P45452 3/20 0.43
MMP14 P50281 3/20 0.43
S1PR1 P21453 1/20 0.42
CDK8 P49336 1/20 0.41
CYP2A6 P11509 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL19964478 0.78 LOXL2 (1.00) LOXL2CYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL19953228 0.75 LOXL2 (0.82) LOXL2CYP11B1CYP11B2MMP2MMP13
SCHEMBL19953229 0.75 LOXL2 (0.60) LOXL2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL3715051 0.74 ATM (0.69) CYP11B1CYP11B2CYP1A2CYP3A4CYP19A1
SCHEMBL1179546 0.73 CYP11B1 (0.76) CYP11B1CYP11B2CYP1A2CYP3A4CYP19A1
SCHEMBL1179945 0.73 CYP11B2 (1.00) CYP11B1CYP11B2CYP1A2CYP3A4CYP19A1
SCHEMBL19953274 0.71 LOXL2 (0.65) LOXL2CYP11B1CYP11B2CYP19A1MMP2
SCHEMBL19964757 0.71 LOXL2 (1.00) LOXL2CYP2A6
SCHEMBL641533 0.71 CYP11B2 (0.64) CYP11B1CYP11B2CYP1A2CYP3A4CYP19A1
SCHEMBL641553 0.71 CYP11B1 (0.60) CYP11B1CYP11B2CYP1A2CYP3A4S1PR1

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