SCHEMBL21177924

SCHEMBL21177924

Oc1cc(-c2ccccc2)nn1-c1cc(Cl)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC34A1 Q06495 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM5 P41594 3/20 0.37

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
SCHEMBL21182288 0.78 NPSR1 (0.43) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL12018161 0.76 ALDH1A1 (0.55) NPSR1MAPTALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL15609960 0.75 ALDH1A1 (0.54) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL23401834 0.74 ALDH1A1 (0.64) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL21177630 0.74 MAPK10 (0.41) MAPTALDH1A1KDM4ETDP1SLC34A1
SCHEMBL13495154 0.74 SMN1; SMN2 (0.60) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL12003457 0.74 ALDH1A1 (0.53) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL9293847 0.72 MAPT (0.45) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL12003407 0.71 SMN1; SMN2 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL30681773 0.71 SMN1; SMN2 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2NPC1

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-2019141957-A1 N-PYRIMIDINYL HYDROXY PYRAZOLE DERIVATIVES AND USES THEREOF CADO BIOTECHNOLOGY IVS (DK) 2019-07-25 WO disclosed