SCHEMBL11250558

SCHEMBL11250558

Nc1ccc(SC2CCCCC2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
AR P10275 1/20 0.40
PTGIR P43119 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
ICAM1 P05362 1/20 0.32
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 2/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PTPN11 Q06124 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL27357404 0.84 MAOA (0.49) MAOAMAOBARPTGIRSMN1; SMN2
SCHEMBL18702813 0.81 MAOA (0.48) MAOAMAOBARPTGIRMEN1
SCHEMBL29503064 0.81 MAOA (0.48) MAOAMAOBARPTGIRMEN1
SCHEMBL12218337 0.78 MAOA (0.58) MAOAMAOBARPTGIRSMN1; SMN2
SCHEMBL26000309 0.78 MAOA (0.58) MAOAMAOBARPTGIRSMN1; SMN2
SCHEMBL2656706 0.78 MAOA (0.73) MAOAMAOBARMEN1KMT2A
SCHEMBL5625530 0.76 MAOA (0.43) MAOAMAOBARCA2CA12
SCHEMBL23295277 0.76 MAOA (0.65) MAOAMAOBARPTGIRSMN1; SMN2
SCHEMBL19890876 0.75 MAOA (0.55) MAOAMAOBARPTGIRMEN1
SCHEMBL22288286 0.73 MAOA (0.53) MAOAMAOBARPTGIRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321393-A Method for preparing 2-cyanamidobenzimidazoles or 2-cyanamidobenzoxazoles SMITHKLINE CORPORATION (US) 1982-03-23 US disclosed
US-4285878-A N-Phenyl-N'-cyano-O-phenylisoureas SMITHKLINE CORPORATION (US) 1981-08-25 US disclosed