SCHEMBL21596923

SCHEMBL21596923

COCc1cccc2noc(N)c12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
TYMS P04818 1/20 0.35
DCPS Q96C86 9/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DHFR P00374 6/20 0.33
LMNA P02545 1/20 0.33
PDK2 Q15119 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL21596932 0.75 DCPS (0.51) ELANEDCPSALDH1A1MEN1KMT2A
SCHEMBL21596849 0.74 KDR (0.46) LMNA
SCHEMBL4367263 0.72 ACHE (0.39) TYMS
SCHEMBL21596935 0.71 ALDH1A1 (0.44) DCPSALDH1A1MEN1TSHRKMT2A
SCHEMBL21596919 0.69 TYMS (0.32) TYMSALDH1A1KDM4E
SCHEMBL30601048 0.68 LMNA (0.39) TYMSALDH1A1MEN1HTTKMT2A
SCHEMBL21596915 0.68 PARP1 (0.41) ELANEDHFR
SCHEMBL21596942 0.68 BACE1 (0.40) TYMS
SCHEMBL4038330 0.67 CD44 (0.43) TYMSALDH1A1TSHRHTTNPSR1
SCHEMBL30645137 0.67 CD44 (0.43) TYMSALDH1A1TSHRHTTNPSR1

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-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed