SCHEMBL9750629

SCHEMBL9750629

c1cc(SC2CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DDAH1 O94760 1/20 0.48
NOS1 P29475 1/20 0.48
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
PTGIR P43119 1/20 0.37
CYP1A2 P05177 2/20 0.36
GRM5 P41594 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
ROCK2 O75116 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 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
SCHEMBL15015409 0.89 DDB1 (0.40) MEN1KMT2ADDAH1NOS1DDB1
SCHEMBL12949506 0.89 MAOA (0.53) MEN1KMT2ADDAH1NOS1DDB1
SCHEMBL4673092 0.87 DDB1 (0.41) MEN1KMT2ADDAH1NOS1DDB1
SCHEMBL4670744 0.85 MEN1 (0.45) MEN1KMT2ADDAH1NOS1DDB1
Hydrochloric Acid SCHEMBL5269331 0.83 MEN1 (0.44) MEN1KMT2ADDAH1NOS1DDB1
SCHEMBL12676793 0.82 CARM1 (0.43) MEN1KMT2ADDAH1NOS1DDB1
SCHEMBL8111506 0.79 HRH3 (0.38) MEN1KMT2ADDAH1NOS1DDB1
SCHEMBL27648678 0.76 KMT2A (0.38) KMT2ADDB1CRBNLMNACARM1
SCHEMBL12110641 0.74 CARM1 (0.50) DDB1CRBNMAOAMAOBMAPT
SCHEMBL23295277 0.70 MAOA (0.65) MEN1KMT2ADDB1CRBNMAOA

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-5028601-A Substituted with an amino thiazole group and a dihydroxy-pyridone group MEIJI SAIKA KAISHA, LTD. (JP) 1991-07-02 US disclosed
EP-0289002-A2 Novel cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA LTD. (JP) 1988-11-02 EP disclosed