SCHEMBL7865724

SCHEMBL7865724

O=C(Nc1ccc(NC(=S)NCCSc2ccccc2)cc1)c1ccco1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.70
NPC1 O15118 3/20 0.70
POLB P06746 3/20 0.65
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 1/20 0.64
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 5/20 0.55
ALOX12 P18054 2/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
GFER P55789 1/20 0.54
HPGD P15428 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PTPN2 P17706 1/20 0.51
PTPN1 P18031 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
SCHEMBL7162986 0.87 NPC1 (0.53) RAB9ANPC1POLBCYP2C9CYP2C19
SCHEMBL7167224 0.84 RAB9A (0.74) RAB9ANPC1POLBCYP2C9MEN1
SCHEMBL7159264 0.82 KMT2A (0.67) RAB9ANPC1POLBCYP2C9MEN1
SCHEMBL7157761 0.82 RAB9A (0.60) RAB9ANPC1POLBCYP2C9MEN1
SCHEMBL7165445 0.82 ALDH1A1 (0.68) RAB9ANPC1POLBCYP2C9MEN1
SCHEMBL7662848 0.80 RAB9A (0.81) RAB9ANPC1POLBCYP2C9MEN1
SCHEMBL6816807 0.78 MAPT (0.56) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL6815098 0.77 MAPT (0.61) RAB9ANPC1CYP2C9CYP2C19MEN1
SCHEMBL6815108 0.76 MAPT (0.67) RAB9ANPC1CYP2C9CYP2C19MEN1
SCHEMBL7166733 0.76 MEN1 (0.58) RAB9ANPC1POLBCYP2C9MEN1

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-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed