SCHEMBL9493418

SCHEMBL9493418

CCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.38
ALDH1A1 P00352 9/20 0.38
KMT2A Q03164 7/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 6/20 0.38
NPC1 O15118 4/20 0.38
KDR P35968 1/20 0.37
VCAM1 P19320 1/20 0.35
LMNA P02545 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MCL1 Q07820 2/20 0.34
PKM P14618 1/20 0.34
BLM P54132 1/20 0.34
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL30440420 1.00 MAPT (0.38) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL9493420 1.00 MAPT (0.38) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL15279879 0.90 KDR (0.40) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL15279743 0.90 KDR (0.40) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL29363816 0.89 MAPT (0.40) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL11444005 0.89 MAPT (0.40) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL11699257 0.88 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL11699264 0.88 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL11591735 0.84 MEN1 (0.38) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL23695626 0.84 MEN1 (0.41) MAPTALDH1A1KMT2AMEN1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305885-B1 ESTERS OF RESIN ON THE BASIS OF OXYALKYLATES OF NOVOLAK, THEIR FABRICATION AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-28 EP disclosed
US-5100989-A RESIN ACID ESTERS BASED ON NOVOLAK OXYALKYLATES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
EP-0305885-A2 Esters of resin on the basis of oxyalkylates of novolak, their fabrication and use HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-08 EP disclosed