SCHEMBL4452395

SCHEMBL4452395

C=Cc1ccc(CSc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 1/20 0.45
SLC6A4 P31645 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
LMNA P02545 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ELANE P08246 1/20 0.42
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
LTA4H P09960 1/20 0.41
POLB P06746 1/20 0.40
CA1 P00915 1/20 0.38

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
SCHEMBL19631194 0.92 MAOA (0.53) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL8754968 0.90 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2ASLC6A4
SCHEMBL13653519 0.87 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL2705727 0.85 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ASLC6A4
SCHEMBL10055053 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4ESLC6A4
SCHEMBL24179910 0.81 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL10716955 0.81 CYP1A2 (0.56) ALDH1A1TSHRMEN1KMT2AMAOA
SCHEMBL19422820 0.81 MAOA (0.41) ALDH1A1TSHRMAOAMAOBRAB9A
SCHEMBL510243 0.81 MEN1 (0.49) ALDH1A1MEN1KMT2AKDM4ESLC6A4
SCHEMBL4459806 0.80 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2AKDM4E

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
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed