SCHEMBL23637444

SCHEMBL23637444

CC1(C)c2cc(C3(c4cccc5ccccc45)c4ccccc4-c4ccccc43)cc(Cl)c2-c2ccc3ccccc3c21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
DHFR P00374 1/20 0.32
TYMS P04818 1/20 0.32
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDK2 Q15119 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2A6 P11509 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 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
SCHEMBL23743376 0.78 CYP2A6 (0.44) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL23630508 0.78 MEN1 (0.35) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL23637505 0.75 DHFR (0.33) DHFRTYMS
SCHEMBL23637362 0.75 ESR1 (0.39) MEN1KMT2AKDM4EMAPTDHFR
SCHEMBL25858539 0.74 CYP2A6 (0.43) MEN1KMT2AMAPTTDP1PDK2
SCHEMBL29571237 0.73 MEN1 (0.45) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL16062607 0.73 MEN1 (0.45) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL23637499 0.72 MEN1 (0.39) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL20806323 0.72 CYP2A6 (0.38) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL19822246 0.71 PDK2 (0.43) MEN1KMT2AMAPTTHRBTDP1

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-2021141356-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-15 WO disclosed