SCHEMBL7280697

SCHEMBL7280697

CCCC(=O)Cc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.61
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TBXAS1 P24557 8/20 0.49
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
ESR1 P03372 1/20 0.47
CYP19A1 P11511 1/20 0.47
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL1538161 0.90 NAPRT (0.57) NAPRTCYP1A2CYP3A4CYP2C9TDP1
SCHEMBL30917345 0.86 NAPRT (0.65) NAPRTCYP1A2CYP3A4CYP2C9TDP1
SCHEMBL8915193 0.86 NAPRT (0.65) NAPRTCYP1A2CYP3A4CYP2C9TDP1
SCHEMBL3253168 0.85 NAPRT (0.74) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL21093385 0.85 TDP1 (0.57) NAPRTCYP1A2CYP3A4CYP2C9TDP1
SCHEMBL28975712 0.84 NAPRT (0.62) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL30195679 0.84 NAPRT (0.62) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL7430813 0.83 NAPRT (0.61) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL16198319 0.82 NAPRT (0.56) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL30120603 0.82 NAPRT (0.56) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1

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-0291673-B1 TETRAHYDROPYRIDINE OXIMES, A PROCESS FOR THEIR PREPARATION AND USE THEREOF AS CHOLINERGIC AGENTS WARNER-LAMBERT COMPANY (US) 1993-06-02 EP disclosed
US-5073561-A N-substituted-pyridinyl oximes WARNER-LAMBERT COMPANY (US) 1991-12-17 US disclosed
US-4929734-A ANTIINFLAMMATORY AGENTS, ANTIDEPRESSANTS WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed
US-4798841-A COGNITION ACTIVATORS, ANALGESICS WARNER-LAMBERT COMPANY (US) 1989-01-17 US disclosed
EP-0291673-A1 Tetrahydropyridine oximes, a process for their preparation and use thereof as cholinergic agents WARNER-LAMBERT COMPANY (US) 1988-11-23 EP disclosed
US-4710508-A ANALGESICS WARNER-LAMBERT COMPANY (US) 1987-12-01 US disclosed
US-4463008-A 2-Alkoxy-5-(pyridinyl)pyridines and cardiotonic use thereof STERLING DRUG INC. (US) 1984-07-31 US disclosed
EP-0109027-A1 Pyridine derivatives, process for their preparation and composition containing them STERLING DRUG INC. (US) 1984-05-23 EP disclosed