SCHEMBL17366179

SCHEMBL17366179

COc1ccc(CN2C(=O)c3ccccc3C2c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 3/20 0.53
TP53 P04637 2/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HKDC1 Q2TB90 1/20 0.49
FFAR1 O14842 1/20 0.48
CASP3 P42574 1/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL30121977 0.90 MDM2 (0.64) MDM2MEN1KMT2AKDM4ETP53
SCHEMBL17366174 0.86 MDM2 (0.58) MDM2MEN1KMT2AKDM4ETP53
SCHEMBL17366169 0.84 MDM2 (0.58) MDM2TP53CASP3MAPTALDH1A1
SCHEMBL17366151 0.84 MDM2 (0.58) MDM2MEN1KMT2AKDM4ETP53
SCHEMBL17366156 0.82 MDM2 (0.60) MDM2MEN1KMT2AKDM4ETP53
SCHEMBL17366170 0.81 MDM2 (0.64) MDM2MEN1KMT2ATP53MAPT
SCHEMBL17366150 0.81 MDM2 (0.55) MDM2TP53ALDH1A1
SCHEMBL30296389 0.80 KDM4E (0.66) MEN1KMT2AKDM4ETP53SMN1; SMN2
SCHEMBL2644150 0.80 KDM4E (0.66) MEN1KMT2AKDM4ETP53SMN1; SMN2
SCHEMBL31370999 0.80 KDM4E (0.53) MEN1KMT2AKDM4EPOLBSMN1; SMN2

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
EP-2960233-B1 NEW THERAPEUTIC AGENTS CANCER RESEARCH TECH LTD (GB) 2019-10-30 EP disclosed
EP-2960233-A1 NEW THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2015-12-30 EP disclosed