SCHEMBL6685582

SCHEMBL6685582

COc1ccc(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccco2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
KDM4E B2RXH2 5/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
HDAC1 Q13547 7/20 0.55
HDAC2 Q92769 7/20 0.55
PTGS1 P23219 2/20 0.54
PTGS2 P35354 2/20 0.54
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RAB9A P51151 1/20 0.52
HTT P42858 3/20 0.51
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
USP2 O75604 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL6680296 0.86 HDAC1 (0.72) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL23392538 0.86 HDAC1 (0.72) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL6685576 0.82 ALDH1A1 (0.59) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL6688392 0.82 KMT2A (0.65) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL28552640 0.82 MEN1 (0.68) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL23392572 0.81 PTGS1 (0.76) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL6691310 0.81 PTGS1 (0.76) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL23392575 0.81 HDAC1 (0.75) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL6689596 0.81 HDAC1 (0.66) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL6685305 0.80 MEN1 (0.60) MEN1KMT2AKDM4EMAPTLMNA

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
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO claimed
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO disclosed