SCHEMBL19657670

SCHEMBL19657670

CNC(=O)c1cccc2oc(C)nc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
CREBBP Q92793 1/20 0.43
HTR3A P46098 5/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
ESR1 P03372 1/20 0.43
MAPT P10636 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGES O14684 2/20 0.41
GAA P10253 2/20 0.41
ELANE P08246 1/20 0.41
TOP2A P11388 2/20 0.40
POLB P06746 1/20 0.40
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL24162868 0.82 KMT2A (0.67) ESR1MAPTMAPK10KMT2APTGES
SCHEMBL496431 0.82 MAOB (0.49) ESR1MAPTMAPK10KMT2AELANE
SCHEMBL6840173 0.82 ELANE (0.44) HTR3AESR1MAPTMAPK10KMT2A
SCHEMBL1398896 0.81 TOP2A (0.59) PKN1PKN2MAPTKMT2AGAA
SCHEMBL7446156 0.81 PARP1 (0.53) ELANEALDH1A1
SCHEMBL22822215 0.81 PLK1 (0.43) PLK1CREBBPHTR3APKN1PKN2
SCHEMBL24162880 0.79 KDM4E (0.65) HTR3AKCNH2ALDH1A1
SCHEMBL21807110 0.79 TOP2A (0.44) ESR1MAPTMAPK10KMT2APTGES
SCHEMBL19576105 0.78 KDM4E (0.67) HTR3APOLBKCNH2ALDH1A1
SCHEMBL24163456 0.77 HPGD (0.52) MAPTKMT2AGAAPOLBALDH1A1

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-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed