SCHEMBL3674602

SCHEMBL3674602

NC(N)/C1=C/CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL3674606 1.00 KDM1A (0.35) KDM1AHDAC4HDAC2HDAC8HDAC6
SCHEMBL3676865 0.97
SCHEMBL3668736 0.90
SCHEMBL3526537 0.83
SCHEMBL7776733 0.82 KDM1A (0.37) KDM1AHDAC4HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL21879605 0.81 KDM1A (0.33) KDM1AHDAC4HDAC2HDAC8HDAC6
SCHEMBL4365354 0.79 KDM1A (0.33) KDM1AHDAC4HDAC2HDAC8HDAC6
SCHEMBL919289 0.79 KDM1A (0.33) KDM1AHDAC4HDAC2HDAC8HDAC6
SCHEMBL14434894 0.78
SCHEMBL1051643 0.75 PTPN1 (0.38) KDM1AHDAC4HDAC2HDAC8HDAC6

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-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed