SCHEMBL9012838

SCHEMBL9012838

CN1CCN(C(=O)c2ccc(O)c(O)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
HPGD P15428 4/20 0.62
TSHR P16473 1/20 0.62
POLB P06746 3/20 0.60
ALOX15 P16050 1/20 0.57
SERPINE1 P05121 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSP90AA1 P07900 2/20 0.54
HSP90AB1 P08238 1/20 0.54
GRM5 P41594 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL107962 0.91 SERPINE1 (0.64) KMT2AMEN1HPGDPOLBSERPINE1
SCHEMBL12217821 0.87 KMT2A (0.60) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL6345968 0.85 HPGD (0.75) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL12285142 0.84 EPHX2 (0.54) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL10724841 0.83 POLB (0.81) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL14661768 0.83 POLB (0.65) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL15066106 0.83 KMT2A (0.56) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL4465213 0.82 HPGD (0.68) HPGDTSHRCYP1A2CYP2D6CYP2C19
SCHEMBL20449044 0.82 HPGD (0.87) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL12218522 0.82 KMT2A (0.61) KMT2AMEN1HPGDTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532354-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5401734-A MICROBIOCIDES FUJISAWA PHAMACEUTICAL CO., LTD. (JP) 1995-03-28 US disclosed
CN-1025737-C Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1994-08-24 CN disclosed
US-5244890-A Treatment of infectious diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
CN-1038814-A Cephem compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1990-01-17 CN disclosed
EP-0345671-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-13 EP disclosed