SCHEMBL9511228

SCHEMBL9511228

NC1C(=O)NC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR2B P41595 1/20 0.40
CA2 P00918 2/20 0.38
TNKS2 Q9H2K2 1/20 0.37
MAOA P21397 6/20 0.37
MAOB P27338 6/20 0.37
KDM1A O60341 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2B6 P20813 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL6544579 0.79 MAPT (0.49) SMN1; SMN2CYP1A2LMNACYP3A4MAPT
SCHEMBL12463067 0.77 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2LMNACYP3A4MAPT
SCHEMBL22226380 0.76 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2LMNACYP3A4MAPT
SCHEMBL22205032 0.76 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2LMNACYP3A4MAPT
SCHEMBL22205033 0.76 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2LMNACYP3A4MAPT
SCHEMBL22226190 0.76 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2LMNACYP3A4MAPT
SCHEMBL5521516 0.74 SMN1; SMN2 (0.45) SMN1; SMN2MAPTMEN1KMT2ACA2
SCHEMBL12874129 0.74 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2LMNACYP3A4MAPT
SCHEMBL2112085 0.74 SMN1; SMN2 (0.45) SMN1; SMN2MAPTMEN1KMT2ACA2
SCHEMBL13798670 0.74 SMN1; SMN2 (0.49) SMN1; SMN2LMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1022829-C Synthesis of beta-lactams with metal compounds UNIV UTRECHT (NL) 1993-11-24 CN disclosed
EP-0281177-B1 A SYNTHESIS FOR BETA-LACTAMS WITH THE AID OF A METAL COMPOUND RIJKSUNIVERSITEIT UTRECHT (NL) 1993-09-01 EP disclosed
US-4898955-A INTERMEDIATE FOR PREPARING TRANS-B-LACTAMS GIST-BROCADES N.V. (NL) 1990-02-06 US disclosed
EP-0281177-A1 A synthesis for beta-lactams with the aid of a metal compound RIJKSUNIVERSITEIT UTRECHT (NL) 1988-09-07 EP disclosed
CN-88100703-A Synthesis of beta-lactams with metal compounds 1988-08-17 CN disclosed