SCHEMBL3248958

SCHEMBL3248958

CCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CCCC(C(N)=O)C4)cc3c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
RCE1 Q9Y256 1/20 0.41
RXFP1 Q9HBX9 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3254812 0.89 MEN1 (0.42) MEN1KMT2ARCE1RXFP1KDM4E
SCHEMBL3251453 0.88 RXFP1 (0.43) MEN1KMT2ARXFP1KDM4EPOLB
Hydrochloric Acid SCHEMBL3247796 0.84 KDM4E (0.41) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL3252092 0.82 KMT2A (0.50) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL3249354 0.81 KDM4E (0.45) MEN1KMT2ARXFP1KDM4EGAA
SCHEMBL3247885 0.81 BRD4 (0.44) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL3248851 0.80 KDM4E (0.38) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL3251597 0.79 PARG (0.47) KDM4EALDH1A1SMN1; SMN2TP53GAA
SCHEMBL3255160 0.78 MAPT (0.38) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL4160299 0.78 MEN1 (0.42) MEN1KMT2ARXFP1TP53GAA

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