SCHEMBL19953274

SCHEMBL19953274

NCc1cc2cc(-c3cccnc3)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.65
MMP2 P08253 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 1/20 0.53
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
CYP2A6 P11509 2/20 0.50
CYP19A1 P11511 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP17A1 P05093 1/20 0.50
FGFR1 P11362 1/20 0.48
IDO1 P14902 1/20 0.47
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL19211328 0.81 PRMT5 (0.53) LOXL2MMP2MMP13MMP14CYP2A6
SCHEMBL31317820 0.79 CYP19A1 (0.71) MMP2MMP13MMP14CYP11B1CYP11B2
SCHEMBL21812408 0.79 CYP19A1 (0.71) MMP2MMP13MMP14CYP11B1CYP11B2
SCHEMBL19964478 0.79 LOXL2 (1.00) LOXL2CYP11B1CYP11B2IDO1
SCHEMBL28015041 0.77 MMP2 (0.51) LOXL2MMP2MMP13MMP14CYP11B1
SCHEMBL7273923 0.76 AURKA (0.56) MMP2MMP13MMP14CYP11B1CYP11B2
SCHEMBL19953219 0.75 LOXL2 (0.60) LOXL2CYP2A6CLK2DYRK1A
SCHEMBL6066464 0.75 LOXL2 (0.56) LOXL2CYP2A6
SCHEMBL19953414 0.74 LOXL2 (0.57) LOXL2IDO1
SCHEMBL19964757 0.74 LOXL2 (1.00) LOXL2CYP2A6

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