SCHEMBL19953383

SCHEMBL19953383

NCc1cc2cc(-c3cncc4ccccc34)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.56
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
PRKCZ Q05513 1/20 0.50
CYP11B1 P15538 7/20 0.49
CYP11B2 P19099 7/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2B6 P20813 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ERN1 O75460 1/20 0.44
WNT1 P04628 1/20 0.43
DYRK1A Q13627 1/20 0.43

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 SCHEMBL19954808 0.99 LOXL2 (0.55) LOXL2PRMT5WDR77PRKCZCYP11B1
SCHEMBL7293410 0.76 CYP11B1 (0.54) PRMT5WDR77PRKCZCYP11B1CYP11B2
SCHEMBL17998728 0.75 PRKCZ (0.54) PRMT5WDR77PRKCZCYP11B1CYP11B2
SCHEMBL21264421 0.74 TRPA1 (0.58) PRKCZCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL29501876 0.74 CYP11B1 (0.74) PRMT5WDR77PRKCZCYP11B1CYP11B2
SCHEMBL19953219 0.74 LOXL2 (0.60) LOXL2PRMT5WDR77DYRK1A
SCHEMBL19953274 0.73 LOXL2 (0.65) LOXL2CYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL1871920 0.73 CYP11B1 (0.53) PRMT5WDR77PRKCZCYP11B1CYP11B2
SCHEMBL26103671 0.72 CYP11B1 (0.55) PRMT5WDR77PRKCZCYP11B1CYP11B2
SCHEMBL19964478 0.72 LOXL2 (1.00) LOXL2PRMT5WDR77CYP11B1CYP11B2

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