SCHEMBL9845937

SCHEMBL9845937

CC1=C(OC(=O)O)C(c2ccccc2[N+](=O)[O-])C(OC(=O)O)=C(C)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 5/20 0.63
ADORA3 P0DMS8 5/20 0.63
CACNA1D Q01668 5/20 0.63
CYP1A2 P05177 4/20 0.63
KMT2A Q03164 4/20 0.63
MAPT P10636 4/20 0.63
CACNA1F O60840 3/20 0.63
CACNA1S Q13698 3/20 0.63
CYP3A4 P08684 3/20 0.63
CYP2C9 P11712 3/20 0.63
CYP2C19 P33261 3/20 0.63
ABCC4 O15439 2/20 0.63
ABCB11 O95342 2/20 0.63
LMNA P02545 2/20 0.63
ADORA2A P29274 2/20 0.63
ADORA1 P30542 2/20 0.63
OPRM1 P35372 2/20 0.63
SCN1A P35498 2/20 0.63
HTR2B P41595 2/20 0.63
KCNH2 Q12809 2/20 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
SCHEMBL11360822 0.93 ADORA3 (0.62) CACNA1CADORA3CACNA1DCYP1A2KMT2A
SCHEMBL10377263 0.92 CACNA1D (0.55) CACNA1CADORA3CACNA1DCYP1A2KMT2A
SCHEMBL10376262 0.88 CACNA1D (0.63) CACNA1CADORA3CACNA1DCYP1A2KMT2A
SCHEMBL10968285 0.88 CACNA1D (0.61) CACNA1CADORA3CACNA1DCYP1A2KMT2A
SCHEMBL6427770 0.87 ADORA3 (0.67) CACNA1CADORA3CACNA1DCYP1A2KMT2A
SCHEMBL6425522 0.86 CACNA1D (0.59) CACNA1CADORA3CACNA1DCYP1A2KMT2A
SCHEMBL10493279 0.84 CACNA1D (0.59) CACNA1CADORA3CACNA1DCYP1A2KMT2A
SCHEMBL10924451 0.83 KMT2A (0.47) CACNA1CADORA3CACNA1DCYP1A2KMT2A
SCHEMBL6425245 0.82 CACNA1D (0.61) CACNA1CADORA3CACNA1DCYP1A2KMT2A
SCHEMBL11346454 0.82 CACNA1D (0.55) CACNA1CADORA3CACNA1DCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171748-B1 NEGATIVE-TONING IMAGING SYSTEM WITH RE-IMAGING CAPABILITY USING 4-(2'-NITROPHENYL)-1,4-DIHYDROPYRIDINE COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-08 EP claimed
EP-0457071-A2 Process for generating fine conductor lines DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1991-11-21 EP disclosed
EP-0432465-A2 Method for making optical color filters DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1991-06-19 EP disclosed
EP-0395961-A1 Method for making electrically conductive patterns DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1990-11-07 EP disclosed
EP-0394875-A1 Method for making electrically conductive patterns DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1990-10-31 EP disclosed
EP-0393712-A1 Method for making electrically conductive patterns DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1990-10-24 EP disclosed
EP-0332880-A2 Process for the production of metal toners DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1989-09-20 EP disclosed
EP-0314051-A2 Method of coating surfaces previously made adhesive DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1989-05-03 EP disclosed