SCHEMBL21295028

SCHEMBL21295028

N=C(N)c1ccc(Cc2ccccc2-c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.52
PRSS2 P07478 5/20 0.52
PRSS3 P35030 5/20 0.52
WDR5 P61964 1/20 0.52
F10 P00742 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
F2 P00734 3/20 0.46
TMPRSS6 Q8IU80 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PKM P14618 1/20 0.44
NQO2 P16083 3/20 0.44
BLM P54132 1/20 0.42
C1S P09871 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41

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
SCHEMBL14720214 0.79 PLA2G10 (0.64) BLMRECQLKMT2AALDH1A1HPGD
SCHEMBL27878384 0.78 PRSS1 (0.48) PRSS1PRSS2PRSS3WDR5F10
SCHEMBL6180080 0.78 PRSS1 (0.48) PRSS1PRSS2PRSS3WDR5F10
SCHEMBL394654 0.78 PRSS1 (0.61) PRSS1PRSS2PRSS3WDR5F10
SCHEMBL27680541 0.76 PRSS1 (0.69) PRSS1PRSS2PRSS3WDR5F10
SCHEMBL29484232 0.76 DPP4 (0.54) KMT2A
SCHEMBL29484236 0.76 DPP4 (0.54) KMT2A
SCHEMBL2717268 0.75 PRSS1 (0.70) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL28807346 0.75 WDR5 (0.59) PRSS1PRSS2PRSS3WDR5F10
Hydrochloric Acid SCHEMBL28584052 0.74 PRSS1 (0.67) PRSS1PRSS2PRSS3WDR5F10

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-2019161705-A1 NEW METHOD FOR SYNTHESIZING 1,6-(P-AMIDINOPHENYL)HEXYL DIETHER 广州同隽医药科技有限公司 2019-08-29 WO disclosed