SCHEMBL21636019

SCHEMBL21636019

O=c1c2ccncc2c2ncccc2n1-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
MAPT P10636 9/20 0.36
LOXL3 P58215 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
PARP1 P09874 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAT2A P31153 2/20 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
SCHEMBL21636016 0.89 MAPT (0.41) MAPTLOXL3LOXL2ALOX12MAPK1
SCHEMBL14933576 0.83 MAPT (0.43) MAPTLOXL3LOXL2ALDH1A1ALOX12
SCHEMBL16482240 0.79 KDM4E (0.40) IDO1MAPTALDH1A1ALOX12MAPK1
SCHEMBL16482267 0.79 KDM4E (0.40) IDO1MAPTALDH1A1ALOX12MAPK1
SCHEMBL17107987 0.78 IDO1 (0.34) IDO1LOXL3LOXL2ALDH1A1ALOX12
SCHEMBL21636013 0.78 MAPK1 (0.47) MAPTLOXL3LOXL2ALDH1A1MAPK1
SCHEMBL21636077 0.77 KMT2A (0.38) MAPTLOXL3LOXL2ALDH1A1MAPK1
SCHEMBL14933551 0.75 TOP1 (0.39) IDO1MAPTALOX12MAPK1
SCHEMBL21636055 0.75 MAPK1 (0.52) MAPTALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL20227637 0.75 MAPK1 (0.52) MAPTALDH1A1MAPK1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3823958-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
WO-2020016264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-23 WO disclosed