SCHEMBL7785207

SCHEMBL7785207

Cn1cccc1C(=O)O.Nc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAOB P27338 2/20 0.42
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7785204 0.90 PARP10 (0.45) RAB9ANPC1SMN1; SMN2PKMNFKB1
Hydrazine SCHEMBL3522472 0.90 RAB9A (0.51) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL335459 0.90
Hydrochloric Acid SCHEMBL5395245 0.88 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL1648666 0.82 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL6331530 0.81 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2PKMNFKB1
Pyrrole SCHEMBL9111233 0.81 NPC1 (0.47) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL9091164 0.79 NPC1 (0.50) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL7715882 0.78 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL15058294 0.76 POLB (0.50) SMN1; SMN2PKMPOLB

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
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed