SCHEMBL9396607

SCHEMBL9396607

O=C(NN1CCOCC1)C(CS)Cc1ccccc1.O=C(Nc1ccncc1)C(CS)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.43
FOLH1 Q04609 1/20 0.43
MME P08473 5/20 0.43
ACE P12821 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
ECE1 P42892 1/20 0.43
BLM P54132 1/20 0.43
NPEPPS P55786 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL9396610 0.89 MME (0.39) MMEACEALDH1A1HPGDMAPK1
SCHEMBL2680002 0.88 CPA3 (0.55) CPA3FOLH1MMEACEALDH1A1
SCHEMBL5097467 0.84 MME (0.57) CPA3FOLH1MMEACEALDH1A1
SCHEMBL7367991 0.77 MME (0.57) CPA3FOLH1MMEACEALDH1A1
SCHEMBL7368451 0.76 MME (0.56) CPA3FOLH1MMEACEALDH1A1
SCHEMBL7271417 0.76 MME (0.65) CPA3FOLH1MMEACEALDH1A1
SCHEMBL28006830 0.74 MMP8 (0.48) CPA3FOLH1ALDH1A1MEN1KMT2A
SCHEMBL9396603 0.74 MME (0.39) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7370831 0.72 CYP1A2 (0.52) MMEACEALDH1A1MEN1KMT2A
SCHEMBL9724784 0.72 PKM (0.62) CPA3FOLH1MMEACEALDH1A1

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
WO-1994021242-A1 METHODS FOR THE TREATMENT OF OSTEOPOROSIS THE PROCTER & GAMBLE COMPANY (US) 1994-09-29 WO claimed