SCHEMBL7848327

SCHEMBL7848327

O=C(Nc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccco1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.69
NPC1 O15118 5/20 0.69
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 1/20 0.61
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
PTPN2 P17706 1/20 0.60
PTPN1 P18031 1/20 0.60
PTPN6 P29350 1/20 0.60
PTPN11 Q06124 1/20 0.60
MAPT P10636 5/20 0.60
LMNA P02545 3/20 0.60
POLB P06746 2/20 0.60
GALR2 O43603 1/20 0.60
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
TP53 P04637 2/20 0.57

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
SCHEMBL7778713 0.88 RAB9A (0.67) RAB9ANPC1ALDH1A1KDM4ECASP3
SCHEMBL7161524 0.86 RAB9A (0.61) RAB9ANPC1ALDH1A1KDM4ECASP3
SCHEMBL7662848 0.84 RAB9A (0.81) RAB9ANPC1ALDH1A1KDM4EPTPN2
SCHEMBL6816703 0.83 RAB9A (0.60) RAB9ANPC1ALDH1A1KDM4ECASP3
SCHEMBL7162996 0.83 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1KDM4EPTPN2
SCHEMBL6632968 0.82 RAB9A (1.00) RAB9ANPC1ALDH1A1KDM4ECASP3
SCHEMBL7848400 0.82 RAB9A (0.66) RAB9ANPC1ALDH1A1KDM4ECASP3
SCHEMBL7159181 0.81 RAB9A (0.58) RAB9ANPC1ALDH1A1KDM4ECASP3
SCHEMBL7162111 0.81 NPC1 (0.54) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL5448328 0.81 RAB9A (0.73) RAB9ANPC1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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