SCHEMBL20100725

SCHEMBL20100725

Fc1ccccc1N(c1ccc(-c2ccc(N(c3ccccc3F)c3ccccc3F)cc2)cc1)c1ccccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.32
ESR1 P03372 1/20 0.32
NFE2L2 Q16236 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30

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
SCHEMBL2845326 0.86 ALDH1A1 (0.41) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL14298063 0.83 ALDH1A1 (0.35) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL262971 0.82 NPC1 (0.37) NPC1MAPTKDM4EALDH1A1
SCHEMBL17734605 0.82 ACHE (0.33) MAPTCYP1A2CYP3A4CYP2C19ACHE
SCHEMBL27433239 0.81 ALDH1A1 (0.41) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL20100728 0.80 CYP11B1 (0.39) NPC1RAB9ARXFP1TP53SMN1; SMN2
SCHEMBL20671379 0.78 NFE2L2 (0.40) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL15449506 0.78 ALDH1A1 (0.41) MAPTALDH1A1NFE2L2
SCHEMBL27790176 0.77 MGLL (0.36) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL22452364 0.75 PTGS2 (0.41) NPC1RAB9AMAPTKDM4EALDH1A1

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
US-20180122587-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed
US-20180122587-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed