SCHEMBL9569413

SCHEMBL9569413

O=S(=O)=C1C=NC(Cc2ccccc2)=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.38
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.33
ELANE P08246 1/20 0.33
KMT2A Q03164 1/20 0.33
AOC3 Q16853 1/20 0.32
GSK3B P49841 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
DAO P14920 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SORT1 Q99523 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G2A P14555 1/20 0.31
LMNA P02545 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL10714727 0.76 CALM1 (0.42) CALM1MEN1ELANEKMT2AAOC3
SCHEMBL28324839 0.72 CALM1 (0.42) CALM1AOC3SMN1; SMN2ALDH1A1RAB9A
SCHEMBL2479409 0.62 CALM1 (0.44) CALM1MEN1ELANEKMT2ASMN1; SMN2
SCHEMBL6504361 0.60 CALM1 (0.42) CALM1MEN1ELANEKMT2AAOC3
Diphenylmethane SCHEMBL28172316 0.60 CALM1 (1.00) CALM1ALDH1A1PLA2G10PLA2G2ALMNA
Diphenylmethane SCHEMBL3792579 0.60 CALM1 (1.00) CALM1ALDH1A1PLA2G10PLA2G2ALMNA
Diphenylmethane SCHEMBL14763944 0.60 CALM1 (1.00) CALM1ALDH1A1PLA2G10PLA2G2ALMNA
Diphenylmethane SCHEMBL1303 0.60 CALM1 (1.00) CALM1ALDH1A1PLA2G10PLA2G2ALMNA
Diphenylmethane SCHEMBL4361124 0.60 CALM1 (1.00) CALM1ALDH1A1PLA2G10PLA2G2ALMNA
SCHEMBL5602992 0.59 CALM1 (0.46) CALM1SMN1; SMN2ALDH1A1RAB9ATDP1

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-0562261-A2 Sulphonylbenzyl substituted imidazoles BAYER AG (DE) 1993-09-29 EP disclosed