SCHEMBL23403683

SCHEMBL23403683

CCCc1nn(C(C)C)c(-c2ccc(C)cc2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.45
HTR2C P28335 8/20 0.45
HTR2B P41595 8/20 0.45
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 2/20 0.35
KMT2A Q03164 2/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL23399601 0.92 HTR2A (0.40) HTR2AHTR2CHTR2BMAPTTP53
SCHEMBL23401092 0.88 HTR2A (0.44) HTR2AHTR2CHTR2BMAPTKDM4E
SCHEMBL23400186 0.87 HTR2A (0.44) HTR2AHTR2CHTR2BMAPTTP53
SCHEMBL23398444 0.84 HTR2A (0.43) HTR2AHTR2CHTR2BMAPTKDM4E
SCHEMBL23403043 0.84 TP53 (0.41) HTR2CMAPTTP53MAPK1KMT2A
SCHEMBL23402271 0.82 MAPT (0.35) HTR2AHTR2CHTR2BMAPTTP53
SCHEMBL23402943 0.81 MAPT (0.40) MAPTTP53KDM4EALOX15MAPK1
SCHEMBL23400492 0.81 MAPT (0.39) HTR2AHTR2CHTR2BMAPTTP53
SCHEMBL23400893 0.80 HTR2A (0.42) HTR2AHTR2CHTR2BMAPTTP53
SCHEMBL23398924 0.79 HTR2A (0.48) HTR2AHTR2CHTR2BMAPTTP53

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