SCHEMBL2327633

SCHEMBL2327633

C=CC[C@@H](OC(=O)C=C)c1cnc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 2/20 0.42
MGAM O43451 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX5 P09917 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 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
SCHEMBL2327636 1.00 KMT2A (0.44) KMT2AKDM4ESMN1; SMN2RAB9AMGAM
SCHEMBL2333803 0.80 MEN1 (0.43) KMT2AKDM4ESMN1; SMN2MEN1ALOX5
SCHEMBL2332343 0.80 MEN1 (0.43) KMT2AKDM4ESMN1; SMN2MEN1ALOX5
SCHEMBL2332350 0.80 MEN1 (0.43) KMT2AKDM4ESMN1; SMN2MEN1ALOX5
SCHEMBL2328850 0.77 KMT2A (0.44) KMT2AKDM4ESMN1; SMN2RAB9AMGAM
SCHEMBL28948579 0.76 CYP2C19 (0.54) KDM4ESMN1; SMN2ALOX5LMNAHSD17B10
SCHEMBL13134242 0.73 KDM4E (0.52) KMT2AKDM4ESMN1; SMN2RAB9AMGAM
SCHEMBL2326069 0.71 AOC3 (0.39) KMT2AKDM4EMEN1POLBCYP2C19
SCHEMBL2326062 0.71 AOC3 (0.39) KMT2AKDM4EMEN1POLBCYP2C19
SCHEMBL7506444 0.71 KDM4E (0.43) KMT2AKDM4ESMN1; SMN2RAB9AMGAM

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
WO-2011099947-A1 A NEW CLASS OF HIGHLY APOPTOTIC ANTI-CANCER AGENTS CAGIR ALI (TR) 2011-08-18 WO disclosed