SCHEMBL10862575

SCHEMBL10862575

Cc1nnc(CNCCN)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TRPM5 Q9NZQ8 1/20 0.36
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CA12 O43570 3/20 0.33
CA6 P23280 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL21452365 0.81 OGA (0.44) OGASMN1; SMN2RAB9ANPC1TRPM5
SCHEMBL2258773 0.78 OGA (0.40) OGASMN1; SMN2RAB9ANPC1TRPM5
SCHEMBL10863779 0.77 CA12 (0.33) CA12CA6CA7CA9CA14
SCHEMBL10864690 0.77 CA12 (0.33) SMN1; SMN2CA12CA6CA7CA9
SCHEMBL10865549 0.74 CA2 (0.42) CA12CA6CA7CA9CA14
SCHEMBL17079457 0.74 ALDH1A1 (0.43) SMN1; SMN2RAB9ANPC1HRH2HRH1
SCHEMBL10864150 0.73 ALDH1A1 (0.41) SMN1; SMN2RAB9ANPC1CA12CA6
SCHEMBL16373614 0.73
SCHEMBL17328525 0.73
SCHEMBL11509916 0.72 ALDH1A1 (0.47) SMN1; SMN2RAB9ANPC1HRH2HRH1

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-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed