SCHEMBL29957644

SCHEMBL29957644

O=Cc1nccc2c(Cl)c[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KMT2A Q03164 1/20 0.33
AXL P30530 1/20 0.33
PRKCI P41743 1/20 0.33
DYRK1A Q13627 3/20 0.33
EPHB4 P54760 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CRBN Q96SW2 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
S1PR4 O95977 1/20 0.32

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
SCHEMBL29954069 0.79 AXL (0.40) KMT2AAXLPRKCIDYRK1ADAO
SCHEMBL29955676 0.79 KMT2A (0.33) KMT2ACCR1CCR5CCR8TRIM24
SCHEMBL25910888 0.72 TDO2 (0.33) DYRK1ATRIM24TRIM33
SCHEMBL29956271 0.70 TRIM24 (0.49) KDM5AKDM4CKMT2ACCR1CCR5
SCHEMBL20125333 0.69 KDM5A (0.55) KDM5AKDM4CKMT2AAXLPRKCI
SCHEMBL5303261 0.67 ALDH1A1 (0.34) KMT2AAXLPRKCIKDM4EALDH1A1
SCHEMBL13909686 0.67 KDM5A (0.45) KDM5AKDM4CKMT2AAXLPRKCI
SCHEMBL5212066 0.66 ALDH1A1 (0.48) KMT2AAXLPRKCIKDM4EALDH1A1
SCHEMBL29936066 0.66 GRM5 (0.40) AXLCCR1CCR5CCR8
SCHEMBL29951565 0.66 MAPT (0.44) KMT2ADYRK1AKDM4ES1PR4ALDH1A1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed