SCHEMBL8813741

SCHEMBL8813741

NNc1ccc(NC(=O)CBr)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.50
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HSD17B10 Q99714 3/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40

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
Bromide SCHEMBL8132407 0.98 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL30088433 0.84 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL23832407 0.84 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL13814572 0.80 GABRP (0.42) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL1736045 0.78 MEN1 (0.46) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL5618326 0.77 ALDH1A1 (0.57) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL15267699 0.74 KMT2A (0.60) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1866130 0.73 TSHR (0.46) SMN1; SMN2NPC1RAB9AKMT2AKDM4E
SCHEMBL29518679 0.73 TSHR (0.46) SMN1; SMN2NPC1RAB9AKMT2AKDM4E
SCHEMBL23832385 0.73 NPC1 (0.64) SMN1; SMN2NPC1RAB9AMAPTKMT2A

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
US-5679778-A FOR FORMING CONJUGATES WITH MACROMOLECULES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1997-10-21 US disclosed
EP-0667859-A1 MOLECULE LABELLING USING 2-HYDRANINOPYRIDINE DERIVATIVES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1995-08-23 EP disclosed