SCHEMBL7873808

SCHEMBL7873808

CC(=O)N(C)c1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.61
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
PDK2 Q15119 1/20 0.42
ENPP2 Q13822 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL14341655 0.82 SMN1; SMN2 (0.61) SMN1; SMN2POLBKMT2AALDH1A1RAB9A
SCHEMBL9956677 0.82 PGR (0.49) PGRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5317092 0.82 CHRNB2 (0.49) PGRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1705319 0.82 CA2 (0.45) PGRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1338054 0.81 PGR (0.45) PGRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28980379 0.80 NOS3 (0.46) PGRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL873266 0.80 MMP3 (0.46) PGRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6170106 0.79 KMT2A (0.54) PGRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2578635 0.79 CHRNB2 (0.47) PGRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30204212 0.79 ROCK2 (0.48) PGRCHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed