SCHEMBL22018376

SCHEMBL22018376

O=NC(=O)CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC(=O)O)C5=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.55
MAPT P10636 1/20 0.55
AKR1B1 P15121 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
TERT O14746 4/20 0.47
TDP1 Q9NUW8 1/20 0.46
STAT3 P40763 1/20 0.44
HIF1A Q16665 1/20 0.44
PIN1 Q13526 1/20 0.43
PIN4 Q9Y237 1/20 0.43
LPAR1 Q92633 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41

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
SCHEMBL13148744 0.89 KDM4E (0.62) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL860250 0.82 CA12 (0.70) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL12606551 0.81 KDM4E (0.56) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL25586526 0.76 ALDH1A1 (0.58) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL13249175 0.76 KMT2A (0.48) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL29322688 0.74 KMT2A (0.60) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL16601804 0.73 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL22018079 0.73 MEN1 (0.60) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL444335 0.72 PIN1 (0.46) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL16601982 0.72 CA12 (0.49) MEN1KMT2AKDM4EALDH1A1CYP1A2

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-2020100781-A1 COLORING COMPOSITION 住友化学株式会社 2020-05-22 WO disclosed