SCHEMBL9512455

SCHEMBL9512455

CCNc1cccc(NC(=O)COCC)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 2/20 0.50
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 8/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
NLRP3 Q96P20 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
AHR P35869 1/20 0.40

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
SCHEMBL9511695 0.88 GAA (0.60) KDM4EHSD17B10KMT2AGAAALDH1A1
SCHEMBL9512510 0.88 KDM4E (0.53) KDM4EPOLBHSD17B10KMT2AGAA
SCHEMBL9510328 0.86 SMN1; SMN2 (0.53) POLBHSD17B10GAAALDH1A1HPGD
SCHEMBL9510636 0.85 GAA (0.44) POLBKMT2AGAAMEN1ALDH1A1
SCHEMBL9510380 0.83 TSHR (0.43) KDM4EHSD17B10KMT2AGAAMEN1
SCHEMBL11631534 0.79 GAA (0.64) KDM4EKMT2AGAAALDH1A1HPGD
SCHEMBL11737164 0.78 GPR35 (0.46) GAAALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL9510386 0.76 SMN1; SMN2 (0.61) POLBHSD17B10GAAALDH1A1HPGD
SCHEMBL9510315 0.74 GAA (0.63) KDM4EPOLBHSD17B10KMT2AGAA
SCHEMBL9510256 0.72 SMN1; SMN2 (0.56) KDM4EPOLBHSD17B10GAAALDH1A1

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
EP-0382216-B1 Novel substituted acetamide compounds TOYO BOSEKI (JP) 1993-10-20 EP claimed
US-5041462-A Novel substituted acetamide compounds and use as anti-allergic agents TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-08-20 US claimed
EP-0382216-A1 Novel substituted acetamide compounds Toyo Boseki Kabushiki Kaisha (JP) 1990-08-16 EP claimed
EP-0382216-B1 Novel substituted acetamide compounds TOYO BOSEKI (JP) 1993-10-20 EP disclosed
US-5041462-A Novel substituted acetamide compounds and use as anti-allergic agents TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-08-20 US disclosed
EP-0382216-A1 Novel substituted acetamide compounds Toyo Boseki Kabushiki Kaisha (JP) 1990-08-16 EP disclosed