SCHEMBL19309487

SCHEMBL19309487

CC(C)N1C(=O)/C(=N\N=C2\c3cccnc3N(C)C2O)c2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 4/20 0.37
KDM4E B2RXH2 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19309407 0.86 KDM4E (0.33) TNKS2KDM4EHKDC1
SCHEMBL19308152 0.81 TNKS2 (0.33) TNKS2
SCHEMBL19308145 0.75 BRD4 (0.35) KDM4EPKMSMN1; SMN2
SCHEMBL19297707 0.75 TTR (0.36) RAB9A
SCHEMBL19297705 0.75 TTR (0.36) RAB9A
SCHEMBL19297706 0.75 TTR (0.36) RAB9A
SCHEMBL21998588 0.74 ALDH1A1 (0.34) TNKS2KDM4EPKM
SCHEMBL19297691 0.70 ALDH1A1 (0.37) KDM4EPKMSMN1; SMN2
SCHEMBL19297692 0.70 ALDH1A1 (0.37) KDM4EPKMSMN1; SMN2
SCHEMBL19297690 0.70 ALDH1A1 (0.37) KDM4EPKMSMN1; SMN2

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
US-9751896-B1 Asymmetric 7-N isatin dimer Schiff base compounds with antitumor activities and a method of preparing the same SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-09-05 US disclosed