SCHEMBL11248482

SCHEMBL11248482

Cc1ccc(N)cc1-c1csc(NC(=N)N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
CCR6 P51684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATP4A P20648 1/20 0.44
ATP4B P51164 1/20 0.44
AMY1A P0DUB6 1/20 0.43
PLAU P00749 6/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
TYR P14679 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSPD1 P10809 1/20 0.39
HSPE1 P61604 1/20 0.39
ALOX5 P09917 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL11238593 0.84 AMY1A (0.43) MEN1KMT2ASMN1; SMN2ATP4AATP4B
SCHEMBL3601551 0.83 MAPT (0.51) MEN1KMT2AATMCCR6SMN1; SMN2
SCHEMBL3597985 0.82 ATP4A (0.61) ATP4AATP4BPLAU
SCHEMBL3608013 0.81 RAB9A (0.50) MEN1KMT2ACCR6SMN1; SMN2MAPT
SCHEMBL3602268 0.80 MAPT (0.56) MEN1KMT2AATMCCR6SMN1; SMN2
Bromide SCHEMBL11241084 0.80 RAB9A (0.49) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL3599051 0.79 SMN1; SMN2 (0.46) MEN1KMT2AATMCCR6SMN1; SMN2
SCHEMBL3607108 0.79 ABL1 (0.49) MEN1KMT2ASMN1; SMN2MAPTHSPD1
SCHEMBL3604799 0.77 ALOX5 (0.61) MEN1KMT2ASMN1; SMN2ATP4AATP4B
SCHEMBL2393684 0.76 HDAC3 (0.59) MEN1KMT2ASMN1; SMN2MAPTHSPD1

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-0003640-B1 ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 EP disclosed