SCHEMBL23764230

SCHEMBL23764230

CC1(C)C=CC=C(N(c2ccccc2)c2ccc(-c3ccnc4ccccc34)cc2)C=C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 5/20 0.37
GRM4 Q14833 7/20 0.36
HTR2B P41595 1/20 0.36
MTNR1A P48039 1/20 0.36
KCNH2 Q12809 1/20 0.36
PIK3CA P42336 1/20 0.36
CAMKK1 Q8N5S9 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
TGFBR1 P36897 1/20 0.34
MAPK14 Q16539 1/20 0.34
PDK1 Q15118 2/20 0.33
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
CYP1A2 P05177 1/20 0.32
BMP4 P12644 1/20 0.32

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
SCHEMBL23764229 0.80 MAPT (0.38) PIK3CA
SCHEMBL23764233 0.79 CYP1A2 (0.37) AURKACYP1A2
SCHEMBL29506436 0.79 GRM4 (0.49) ACVR1GRM4HTR2BMTNR1AKCNH2
SCHEMBL16484497 0.79 GRM4 (0.49) ACVR1GRM4HTR2BMTNR1AKCNH2
SCHEMBL28950826 0.78 PIK3CA (0.51) ACVR1GRM4HTR2BMTNR1AKCNH2
SCHEMBL23764524 0.77 KDM4E (0.33) KCNH2
SCHEMBL23764235 0.76 NPC1 (0.41) CYP1A2
SCHEMBL23764418 0.76 ALDH1A1 (0.37) CYP1A2
SCHEMBL23764223 0.76 KIF11 (0.37) CYP1A2
SCHEMBL23764419 0.72 KCNA5 (0.33)

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-2907803-B1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT TORAY INDUSTRIES (JP) 2021-08-18 EP disclosed