SCHEMBL6603479

SCHEMBL6603479

O=S(=O)=C1C=NN=C1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.38
EPHX2 P34913 1/20 0.36
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LTB4R Q15722 1/20 0.32
AOC3 Q16853 1/20 0.32
DAO P14920 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
AR P10275 1/20 0.30
TAAR1 Q96RJ0 2/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL5360787 0.68 MAPT (0.36) ALDH1A1
SCHEMBL10733624 0.62 CALM1 (0.50) CALM1MAOAMAOBALDH1A1LTB4R
SCHEMBL9569413 0.61 CALM1 (0.38) CALM1EPHX2MAOAMAOBALDH1A1
SCHEMBL2339223 0.60 CALM1 (0.42) CALM1MAOAMAOBALDH1A1LTB4R
Diphenylmethane SCHEMBL1303 0.60 CALM1 (1.00) CALM1MAOBALDH1A1PLA2G10PLA2G2A
Diphenylmethane SCHEMBL14763944 0.60 CALM1 (1.00) CALM1MAOBALDH1A1PLA2G10PLA2G2A
Diphenylmethane SCHEMBL28172316 0.60 CALM1 (1.00) CALM1MAOBALDH1A1PLA2G10PLA2G2A
Diphenylmethane SCHEMBL4361124 0.60 CALM1 (1.00) CALM1MAOBALDH1A1PLA2G10PLA2G2A
Diphenylmethane SCHEMBL3792579 0.60 CALM1 (1.00) CALM1MAOBALDH1A1PLA2G10PLA2G2A
Diphenylmethane SCHEMBL28138127 0.59 CALM1 (0.80) CALM1EPHX2ALDH1A1CES2CES1

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-1308446-B1 5-(alkylidene-cycloalkyl)- and 5-(alkylidene-heterocyclyl)-pyrazoles PFIZER PROD INC (US) 2004-12-08 EP disclosed