SCHEMBL23400899

SCHEMBL23400899

Cc1ccc(-n2nc(C)c(O)c2C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 2/20 0.40
GRM5 P41594 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NT5E P21589 1/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL23400579 0.86 MAPK1 (0.47) KDM4EPOLBTDP1NT5EALDH1A1
SCHEMBL23403380 0.84 LMNA (0.48) KDM4EPOLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL23400754 0.82 ESR1 (0.42) MEN1KMT2AKDM4EL3MBTL1POLB
SCHEMBL23400883 0.81 ALDH1A1 (0.49) KDM4EL3MBTL1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL23399080 0.81 CDK8 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL23400451 0.81 PDE4A (0.38) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL23399014 0.80 HPGD (0.37) MEN1KMT2AKDM4EL3MBTL1POLB
SCHEMBL23399637 0.79 ALDH1A1 (0.38) MEN1KMT2AKDM4EL3MBTL1POLB
SCHEMBL23399369 0.79 TP53 (0.35) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL23402627 0.78 ALDH1A1 (0.50) MEN1KMT2AKDM4EL3MBTL1POLB

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed