SCHEMBL8094061

SCHEMBL8094061

CSc1ccc(/C(C=O)=C(/c2ccc(F)cc2)N(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
PLK1 P53350 1/20 0.36
HAO1 Q9UJM8 1/20 0.33
PTGS1 P23219 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8094065 1.00 LMNA (0.40) LMNAMAPTAKR1C3AKR1C2AKR1C1
SCHEMBL5788690 0.81 LTA4H (0.49) CYP1A2CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL7620158 0.79 TCF4 (0.51) LMNAMAPTAKR1C3AKR1C2AKR1C1
SCHEMBL7627953 0.79 TCF4 (0.51) LMNAMAPTAKR1C3AKR1C2AKR1C1
SCHEMBL7620156 0.79 TCF4 (0.51) LMNAMAPTAKR1C3AKR1C2AKR1C1
SCHEMBL8094069 0.70 DAO (0.38) CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6050656 0.70 CES2 (0.67) LMNAMAPTALDH1A1MAPK1PLK1
SCHEMBL4030308 0.70 LTA4H (0.53) LMNAMAPTCYP1A2ALDH1A1MAPK1
SCHEMBL8985444 0.70 TCF4 (0.38) MAPTAKR1C3AKR1C2AKR1C1CYP1A2
SCHEMBL8985441 0.70 TCF4 (0.38) MAPTAKR1C3AKR1C2AKR1C1CYP1A2

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-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP disclosed
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed