SCHEMBL8579461

SCHEMBL8579461

COc1ccc(CCNC(=O)NC(=O)CC#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
FPR2 P25090 4/20 0.56
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.55
CNR1 P21554 1/20 0.54
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
PTPN1 P18031 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL8606832 0.92 POLB (0.56) SMN1; SMN2FPR2POLBMAPT
SCHEMBL8579115 0.86 NPC1 (0.55) SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL8578113 0.83 CNR1 (0.56) SMN1; SMN2FPR2MAPTCNR1KMT2A
SCHEMBL8577049 0.83 CNR1 (0.50) FPR2POLBCNR1KMT2AALDH1A1
SCHEMBL30858767 0.82 SMN1; SMN2 (0.77) SMN1; SMN2FPR2CNR1GLAKMT2A
SCHEMBL16562224 0.79 ALDH1A1 (0.66) SMN1; SMN2FPR2MAPTCNR1GLA
SCHEMBL6317352 0.79 MCL1 (0.64) SMN1; SMN2POLBKMT2AALDH1A1LMNA
SCHEMBL7025629 0.79 MCL1 (0.64) SMN1; SMN2POLBKMT2AALDH1A1LMNA
SCHEMBL17790723 0.78 SMN1; SMN2 (0.71) SMN1; SMN2FPR2CNR1GLAKMT2A
SCHEMBL12773610 0.78 SMN1; SMN2 (0.75) SMN1; SMN2POLBGLAKMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719279-A CHOLINOMIMETICS BOEHRINGER INGELHEIM KG (DE) 1998-02-17 US disclosed