SCHEMBL7784359

SCHEMBL7784359

Cc1nc2ccc(N)cc2[nH]1.Nc1ccc(NC=O)cc1.Nc1ccc2[nH]cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 7/20 0.46
MAPT P10636 7/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 4/20 0.46
GFER P55789 3/20 0.46
GLA P06280 3/20 0.46
RXFP1 Q9HBX9 3/20 0.46
GAA P10253 3/20 0.46
PRKCI P41743 1/20 0.43
RAD52 P43351 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 4/20 0.41
RECQL P46063 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL7846427 0.89 MAPT (0.56) POLBALDH1A1KDM4EMAPTRAB9A
SCHEMBL7783498 0.86 PRKCI (0.49) POLBALDH1A1KDM4EMAPTRAB9A
SCHEMBL7784365 0.77 POLB (0.44) POLBALDH1A1KDM4EMAPTRAB9A
SCHEMBL18789600 0.73 ADRA2A (0.40) POLBALDH1A1KDM4EMAPTRAB9A
SCHEMBL1925827 0.73 MAPT (0.76) POLBALDH1A1KDM4EMAPTRAB9A
SCHEMBL28308892 0.72 ADRA2A (0.39) POLBALDH1A1KDM4EMAPTRAB9A
Hydrochloric Acid SCHEMBL8990129 0.71 MAPT (0.73) POLBALDH1A1KDM4EMAPTRAB9A
SCHEMBL115965 0.70 PRKCI (0.70) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL30832996 0.70 PRKCI (0.70) ALDH1A1KDM4EMAPTRAB9AMEN1
Hydrochloric Acid SCHEMBL9450655 0.69 MAPT (0.71) ALDH1A1KDM4EMAPTRAB9AMEN1

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-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed