SCHEMBL9258580

SCHEMBL9258580

C1=CC(c2ccccc2)(c2cc3ccccc3s2)Oc2ccc3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NQO1 P15559 1/20 0.35
NQO2 P16083 1/20 0.35
SIGMAR1 Q99720 8/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CHRM2 P08172 1/20 0.32

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
SCHEMBL361847 0.83 KDM4E (0.50) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL30284405 0.83 KDM4E (0.50) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL9056690 0.79 KDM4E (0.44) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL9251027 0.79 MAPT (0.40) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL2517095 0.77 KDM4E (0.45) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL1387642 0.76 ALDH1A1 (0.40) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL8921625 0.75 KDM4E (0.43) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL9257841 0.75 KDM4E (0.41) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL3166977 0.74 KDM4E (0.39) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL3157828 0.74 KDM4E (0.39) MEN1KMT2AKDM4ENPC1ALDH1A1

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-5429774-A FOR USE IN PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 1995-07-04 US claimed
US-5429774-A FOR USE IN PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 1995-07-04 US disclosed