SCHEMBL23764410

SCHEMBL23764410

CC1(C)C=CC=C(N(c2ccccc2)c2cccc3cnccc23)C=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
HTT P42858 1/20 0.32
TRPV1 Q8NER1 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL23764412 0.91 TNF (0.36)
SCHEMBL23764411 0.87 KDM4E (0.36) KDM4ELMNAALDH1A1MAPT
SCHEMBL23764413 0.86 KCNA3 (0.32) KCNA3OPRM1OPRL1CYP3A4CYP2D6
SCHEMBL23764415 0.80 LMNA (0.38) CYP3A4CYP2D6KDM4ELMNAHTT
SCHEMBL18900785 0.79 SIGMAR1 (0.38) ALDH1A1
SCHEMBL23764414 0.79
SCHEMBL16484721 0.78 CYP3A4 (0.49) KCNA3CYP3A4CYP2D6KDM4ELMNA
SCHEMBL20404377 0.77 SIGMAR1 (0.31)
SCHEMBL19443891 0.76 ALDH1A1 (0.31) CYP3A4CYP2D6KDM4ECYP1A2CYP2C9
SCHEMBL20629309 0.76 SIGMAR1 (0.32)

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