SCHEMBL9750392

SCHEMBL9750392

CCN(CC)c1ccc(C(=CC(C=C(c2ccc(Cl)cc2)c2ccc(N(CC)CC)cc2)c2ccccc2C(N)=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
AGTR1 P30556 1/20 0.39
CNR2 P34972 5/20 0.39
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
NFKB1 P19838 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
GFER P55789 1/20 0.38
ESRRG P62508 2/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL9749697 0.94 MAPT (0.41) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL9749956 0.89 MAPT (0.40) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL9749975 0.88 ALDH1A1 (0.47) MAPTMEN1KMT2AAGTR1KDM4E
SCHEMBL9750124 0.87 CNR2 (0.40) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL9749968 0.82 MAPT (0.47) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9749549 0.81 MAPT (0.38) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9750055 0.77 MAPT (0.38) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9840314 0.76 ALDH1A1 (0.47) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9749664 0.76 KMT2A (0.41) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL9749572 0.75 ALDH1A1 (0.45) MAPTMEN1KMT2AKDM4ESMN1; SMN2

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-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed
US-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed