SCHEMBL7135205

SCHEMBL7135205

O=C(Nc1ccc(F)c([Ti])c1F)OCCCl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM3 P20309 8/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL29480042 0.75 EPHX2 (0.34) EPHX2MEN1KMT2ACHRM3
SCHEMBL7142190 0.72 NPC1 (0.52) EPHX2MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL7137151 0.72 HDAC1 (0.46) EPHX2SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL483334 0.71 CHRM3 (0.34) CHRM3
SCHEMBL3910708 0.71 HTT (0.47) EPHX2MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2093171 0.70 EPHX2 (0.46) EPHX2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL6850023 0.69 ALDH1A1 (0.38) EPHX2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4667090 0.69 RAB9A (0.55) MEN1KMT2ACYP1A2CYP2C19KDM4E
SCHEMBL7144364 0.69 MAPK1 (0.47) EPHX2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10192206 0.69 NPC1 (0.51) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1215379-C Original edition for lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2005-08-17 CN disclosed
US-20030190554-A1 Photopolymerization; development using alkalinity developer FUJIFILM CORPORATION (JP) 2003-10-09 US disclosed
CN-1425068-A Fungal transcriptional activator useful in methods of producing polypeptides NOVOZYMES AS (DK) 2003-06-18 CN disclosed
CN-1374559-A Original edition for lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2002-10-16 CN disclosed