SCHEMBL11085347

SCHEMBL11085347

N#Cc1cc(=O)cc(-c2ccccc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
AR P10275 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 3/20 0.42
TNKS O95271 2/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP19A1 P11511 2/20 0.42
CYP1B1 Q16678 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL1344376 0.80 PRKDC (0.56) PRKDCMEN1KMT2AKDM4EAR
SCHEMBL11084829 0.79 EGFR (0.71) PRKDCMEN1KMT2AKDM4ELMNA
SCHEMBL11733368 0.75 ALDH1A1 (0.49) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL11085896 0.72 NQO1 (0.54) PRKDCMEN1KMT2AKDM4EAR
SCHEMBL6964494 0.72 PRKDC (0.49) PRKDCMEN1KMT2AKDM4EAR
SCHEMBL3427191 0.72 PRKDC (0.49) PRKDCMEN1KMT2AKDM4EAR
SCHEMBL9179291 0.69 PLA2G2A (0.49) PRKDCMEN1KMT2AARSMN1; SMN2
SCHEMBL1176530 0.69 ALDH1A1 (0.58) PRKDCMEN1KMT2AKDM4EAR
SCHEMBL9204834 0.69 PRKDC (0.46) PRKDCMEN1KMT2AKDM4ELMNA
SCHEMBL14944131 0.68 KDM4E (0.51) MEN1KMT2AKDM4ELMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4471129-A ANTIHISTAMINES LILLY INDUSTRIES LIMITED (GB) 1984-09-11 US disclosed
US-4448787-A ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1984-05-15 US disclosed
US-4304728-A 2,6-DIHYDROXY-2,5-HEXADIENOIC ACID DERIVATIVES, ANTIHISTAMINE INTERMEDIATES LILLY INDUSTRIES LIMITED (GB) 1981-12-08 US disclosed