SCHEMBL14367137

SCHEMBL14367137

CC(=O)Sc1ccc(C#Cc2ccc(Cc3ccc(SC(C)=O)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.46
KMT2A Q03164 2/20 0.42
FFAR1 O14842 7/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR4 Q5NUL3 2/20 0.39
LMNA P02545 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
SCHEMBL14367132 0.95 ACACB (0.43) ACACBKMT2AFFAR1KDM4EMEN1
SCHEMBL14367128 0.89 KMT2A (0.52) KMT2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13446219 0.89 HPGD (0.47) ACACBKMT2AFFAR1KDM4EMEN1
SCHEMBL10187470 0.81 LMNA (0.58) KMT2AALDH1A1HPGDLMNA
SCHEMBL14345605 0.81 FFAR1 (0.47) KMT2AFFAR1KDM4EMEN1ALDH1A1
SCHEMBL12249833 0.81 MAPT (0.46) ACACBKMT2AFFAR1KDM4EMEN1
SCHEMBL4258825 0.81 ALDH1A1 (0.46) ACACBKMT2AFFAR1KDM4EMEN1
SCHEMBL9610055 0.80 FFAR1 (0.45) ACACBKMT2AFFAR1KDM4EMEN1
SCHEMBL10099654 0.79 CYP1A1 (0.41) ACACBKMT2AFFAR1KDM4EMEN1
SCHEMBL15743783 0.79 FFAR1 (0.46) ACACBKMT2AFFAR1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070297216-A1 SELF-ASSEMBLY OF MOLECULAR DEVICES WILLIAM MARSH RICE UNIVERSITY (US) 2007-12-27 US disclosed