SCHEMBL9729439

SCHEMBL9729439

Nc1nc(C2=CCCN(CCc3ccccc3)C2)c(Cl)s1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CHRM1 P11229 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
GRM2 Q14416 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
SCHEMBL9728485 0.90 DRD2 (0.43) MEN1ALDH1A1GAAKMT2A
SCHEMBL9728509 0.85 THRB (0.39)
SCHEMBL9728783 0.84 KDM4E (0.46) MAOAKDM4EMEN1ALDH1A1GLA
SCHEMBL9728716 0.82 CHRM2 (0.41)
SCHEMBL9728112 0.79 RAD52 (0.43)
SCHEMBL9728399 0.79 CHRM1 (0.35) CHRM1
SCHEMBL9451990 0.78 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ATAAR1
SCHEMBL9728521 0.76 MAPT (0.41) KDM4EALDH1A1MAPT
SCHEMBL9728927 0.75 CHRM2 (0.43)
SCHEMBL9728317 0.75 CHRM1 (0.55) CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128340-A Thiazole derivatives AKZO N.V. (NL) 1992-07-07 US disclosed
EP-0372125-A1 Oxazole and thiazole derivatives AKZO N.V. (NL) 1990-06-13 EP disclosed
EP-0368384-A1 Thiazole derivatives AKZO N.V. (NL) 1990-05-16 EP disclosed