SCHEMBL3247465

SCHEMBL3247465

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 3/20 0.43
RECQL P46063 2/20 0.43
ADRB2 P07550 1/20 0.43
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL3247431 0.89 MAPT (0.48) CRHBPCRHR2MEN1KMT2AKDM4E
SCHEMBL3255408 0.88 MAPT (0.45) CRHBPCRHR2MEN1KMT2AKDM4E
SCHEMBL3251108 0.87 ALDH1A1 (0.43) CRHBPCRHR2MEN1KMT2AKDM4E
SCHEMBL3254539 0.86 MAPT (0.48) CRHBPCRHR2MEN1KMT2AKDM4E
SCHEMBL3255978 0.86 FEN1 (0.39) CRHBPCRHR2MEN1KMT2AKDM4E
SCHEMBL3241840 0.84 KDM4E (0.41) CRHBPCRHR2MEN1KMT2AKDM4E
SCHEMBL3250557 0.84 MAPT (0.41) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL3253968 0.83 PKM (0.49) CRHBPCRHR2MEN1KMT2AKDM4E
SCHEMBL3252380 0.82 CSF1R (0.43) MEN1KMT2AKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL3255371 0.82 HSD17B10 (0.49) CRHBPCRHR2MEN1KMT2AKDM4E

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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed