SCHEMBL9017561

SCHEMBL9017561

Cc1ccc(Oc2ccc(NC(=O)C(C#N)=C(O)C3CC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.61
MAPT P10636 4/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
RAB9A P51151 4/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
POLB P06746 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
PNLIP P16233 1/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL18118641 0.92 DHODH (0.70) DHODHMAPTRAB9APOLBTDP1
SCHEMBL9017570 0.90 DHODH (0.61) DHODHMAPTHDAC3HDAC1HDAC2
SCHEMBL9157076 0.90 DHODH (0.64) DHODHMAPTHDAC3HDAC1HDAC2
SCHEMBL9017576 0.88 DHODH (0.69) DHODHMAPTHDAC3HDAC1HDAC2
SCHEMBL9017543 0.88 DHODH (0.65) DHODHMAPTHDAC3HDAC1HDAC2
SCHEMBL9017605 0.88 DHODH (0.61) DHODHMAPTRAB9APOLBLMNA
SCHEMBL9017547 0.88 DHODH (0.61) DHODHMAPTRAB9APOLBPNLIP
SCHEMBL9017554 0.88 DHODH (0.61) DHODHMAPTHDAC3HDAC1HDAC2
SCHEMBL9017564 0.88 DHODH (0.61) DHODHMAPTHDAC3HDAC1HDAC2
SCHEMBL9017569 0.86 DHODH (0.54) DHODHMAPTMTNR1AMTNR1BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533573-B1 Derivatives of 3-cyclo alkyl-propen-2-amide, their tautomeres and salts and their use as antiinflammatory agents ROUSSEL UCLAF (FR) 1996-12-04 EP disclosed
US-5389652-A Antiinflammatory agent ROUSSEL-UCLAF (FR) 1995-02-14 US disclosed
US-5312830-A Antiinflammatory agents ROUSSEL-UCLAF (FR) 1994-05-17 US disclosed
EP-0533573-A2 Derivatives of 3-cyclo alkyl-propen-2-amide, their tautomeres and salts and their use as antiinflammatory agents ROUSSEL UCLAF (FR) 1993-03-24 EP disclosed