SCHEMBL10364656

SCHEMBL10364656

C/C(=C\c1cc(-n2ccnc2)cs1)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ ENPP2 Q13822 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FBP1 P09467 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ABL2 P42684 1/20 0.34
▸ GRIA1 P42261 2/20 0.34
▸ GRIA2 P42262 2/20 0.34

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
SCHEMBL10364657 1.00 CYP3A4 (0.40) CYP3A4BAZ2BMAPTENPP2MKNK1
SCHEMBL7409783 0.77 MAPT (0.53) CYP3A4BAZ2BMAPTENPP2MKNK1
SCHEMBL7409786 0.77 MAPT (0.53) CYP3A4BAZ2BMAPTENPP2MKNK1
SCHEMBL10364607 0.77 MAPT (0.38) CYP3A4BAZ2BMAPTENPP2MKNK1
SCHEMBL10364609 0.77 MAPT (0.38) CYP3A4BAZ2BMAPTENPP2MKNK1
SCHEMBL8629745 0.76 IDO1 (0.49) CYP3A4BAZ2BMAPTIDO1KDM4E
SCHEMBL8629749 0.76 IDO1 (0.49) CYP3A4BAZ2BMAPTIDO1KDM4E
SCHEMBL10363574 0.75 FBP1 (0.38) CYP3A4BAZ2BMAPTENPP2MKNK1
SCHEMBL10363576 0.75 FBP1 (0.38) CYP3A4BAZ2BMAPTENPP2MKNK1
SCHEMBL10365507 0.74 IDO1 (0.44) CYP3A4BAZ2BMAPTENPP2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175187-B1 3,4-DIHYDRO-2(1H)-PYRIDONES AND 2(1H)-PYRIDONES CONTAINING IMIDAZOLE GROUPS, METHOD FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1990-01-10 — — EP disclosed
US-4699914-A CONGESTIVE HEART FAILURE A. NATTERMANN & CIE GMBH (DE) 1987-10-13 — — US disclosed
EP-0175187-A1 3,4-Dihydro-2(1H)-pyridones and 2(1H)-pyridones containing imidazole groups, method for their preparation and medicaments containing them A. Nattermann & Cie. GmbH (DE) 1986-03-26 — — EP disclosed
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