Cephapirin

Cephapirin

SCHEMBL9437555

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1.[NaH].[NaH]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Cephapirin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.98
MAPT P10636 8/20 0.83
TDP1 Q9NUW8 7/20 0.83
CYP3A4 P08684 4/20 0.83
L3MBTL1 Q9Y468 4/20 0.83
HSD17B10 Q99714 3/20 0.83
POLB P06746 3/20 0.83
KDM4E B2RXH2 2/20 0.83
APEX1 P27695 2/20 0.83
LMNA P02545 2/20 0.83
RECQL P46063 1/20 0.83
CYP2D6 P10635 1/20 0.83
CA5A P35218 1/20 0.76
HPGD P15428 2/20 0.65
CTDSP1 Q9GZU7 2/20 0.65
DNMT1 P26358 1/20 0.65
SLC22A6 Q4U2R8 1/20 0.65
SLC22A8 Q8TCC7 1/20 0.65
SLC22A11 Q9NSA0 1/20 0.65
ESR1 P03372 1/20 0.63

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
Cephapirin SCHEMBL151779 1.00 NR1I2 (0.98) NR1I2MAPTTDP1CYP3A4L3MBTL1
Cephapirin SCHEMBL8194062 0.99 NR1I2 (1.00) NR1I2MAPTTDP1CYP3A4L3MBTL1
Cephapirin SCHEMBL3205 0.99 NR1I2 (1.00) NR1I2MAPTTDP1CYP3A4L3MBTL1
Cephapirin SCHEMBL11844804 0.99 NR1I2 (1.00) NR1I2MAPTTDP1CYP3A4L3MBTL1
Cephapirin SCHEMBL11844793 0.99 NR1I2 (1.00) NR1I2MAPTTDP1CYP3A4L3MBTL1
Cephapirin SCHEMBL16072823 0.99 NR1I2 (1.00) NR1I2MAPTTDP1CYP3A4L3MBTL1
Cephapirin SCHEMBL28932665 0.98 NR1I2 (0.98) NR1I2MAPTTDP1CYP3A4L3MBTL1
Cephapirin SCHEMBL10275188 0.93 NR1I2 (0.88) NR1I2MAPTTDP1CYP3A4L3MBTL1
Cephapirin SCHEMBL23630215 0.92 TDP1 (0.98) NR1I2MAPTTDP1CYP3A4L3MBTL1
Cephapirin SCHEMBL4190569 0.91 NR1I2 (0.84) NR1I2MAPTTDP1CYP3A4L3MBTL1

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
EP-3846778-A1 ORAL FILM COMPOSITIONS AND DOSAGE FORMS HAVING PRECISE ACTIVE DISSOLUTION PROFILES Aquestive Therapeutics, Inc. (US) 2021-07-14 EP disclosed
US-5342612-A Potentiating or safening amount of aqueous surfactant with tumor necrosis factor AMERICAN CYANAMID COMPANY (US) 1994-08-30 US disclosed