SCHEMBL24254652

SCHEMBL24254652

CC(C)(C)c1cc(N(c2ccc(N(c3ccccc3)c3c(F)c(F)c(C(F)(F)F)c(F)c3F)cc2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.33
CYP2D6 P10635 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL24254654 0.88
SCHEMBL24254847 0.85 TACR1 (0.34) TACR1CYP2D6KDM4EALDH1A1CYP1A2
SCHEMBL24254801 0.85 TACR1 (0.36) TACR1ALDH1A1L3MBTL1
SCHEMBL24254822 0.84 TACR1 (0.34) TACR1
SCHEMBL24254706 0.84 ALDH1A1 (0.38) CYP2D6KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL24254823 0.82 TACR1 (0.34) TACR1
SCHEMBL9155671 0.81 ALDH1A1 (0.45) CYP2D6KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21333943 0.79 CYP2D6 (0.42) CYP2D6KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL14763816 0.79 CYP2D6 (0.42) CYP2D6KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL24254825 0.79 KIF11 (0.36) TACR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4198163-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN Tosoh Corporation (JP) 2023-06-21 EP disclosed
WO-2022034907-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2022-02-17 WO disclosed