SCHEMBL9623946

SCHEMBL9623946

CON=C(C(=O)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(CCl)CS[C@@H]12)c1csc(NC(=O)C(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ APEX1 P27695 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NR1I2 O75469 4/20 0.49
▸ ALB P02768 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ SLC22A6 Q4U2R8 1/20 0.49
▸ SLC22A8 Q8TCC7 1/20 0.49
▸ SLC22A11 Q9NSA0 1/20 0.49
▸ HTR2C P28335 1/20 0.49

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
SCHEMBL9623944 1.00 TDP1 (0.50) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL9623995 0.91 TDP1 (0.47) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL9623998 0.91 TDP1 (0.47) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL9877500 0.89 PTGS1 (0.45) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL9877502 0.89 PTGS1 (0.45) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL11233590 0.88 NR1I2 (0.59) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL11233585 0.88 NR1I2 (0.59) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL9623627 0.85 TDP1 (0.42) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL9623625 0.85 TDP1 (0.42) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL11036962 0.85 TDP1 (0.52) TDP1MAPTHSD17B10APEX1ALDH1A1

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-0145906-B1 CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-11 — — EP disclosed
US-4622318-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-11-11 — — US disclosed
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