SCHEMBL8837129

SCHEMBL8837129

CC(=O)NC(C(=O)NCc1ccncc1)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
CCR2 P41597 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
GPR88 Q9GZN0 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 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
SCHEMBL6813763 0.88 CA12 (0.54) ALDH1A1CYP3A4GAAMAPTSMN1; SMN2
SCHEMBL8837212 0.87 KMT2A (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2HTT
SCHEMBL8837195 0.86 NPSR1 (0.55) ALDH1A1CYP3A4SMN1; SMN2CCR2POLB
SCHEMBL8837220 0.85 CCR2 (0.48) ALDH1A1LMNASMN1; SMN2CCR2
SCHEMBL7520262 0.85 CCR2 (0.48) ALDH1A1LMNASMN1; SMN2CCR2
SCHEMBL9712175 0.84 CCR2 (0.56) GAASMN1; SMN2CCR2POLB
SCHEMBL8837111 0.84 CCR2 (0.56) GAASMN1; SMN2CCR2POLB
SCHEMBL8837177 0.84 CCR2 (0.43) ALDH1A1SMN1; SMN2CCR2POLBCA12
SCHEMBL1710436 0.80 CCR2 (0.48) ALDH1A1USP2GAAMAPK1CCR2
SCHEMBL8837182 0.79 TP53 (0.43) ALDH1A1USP2GAALMNAMAPT

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
US-5654301-A Lacosamide FDA Orange book listed patent RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-08-05 US claimed
EP-0592490-A4 AMINO ACID DERIVATIVE ANTICONVULSANT RES CORP TECHNOLOGIES INC (US) 1994-08-17 EP claimed
EP-0592490-A1 AMINO ACID DERIVATIVE ANTICONVULSANT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-04-20 EP claimed
WO-1992021648-A1 AMINO ACID DERIVATIVE ANTICONVULSANT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-10 WO claimed
US-5654301-A Lacosamide FDA Orange book listed patent RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-08-05 US disclosed