SCHEMBL7678628

SCHEMBL7678628

O=C(Nc1ccc(NC(=S)Nc2ccc[c]c2Cl)cc1)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.56
NPC1 O15118 5/20 0.56
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPN6 P29350 1/20 0.56
PTPN11 Q06124 1/20 0.56
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 5/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.51
LMNA P02545 3/20 0.51
GALR2 O43603 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 2/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 2/20 0.50
PKM P14618 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL7159181 0.80 RAB9A (0.58) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL7662848 0.78 RAB9A (0.81) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL7848327 0.78 RAB9A (0.69) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL7778713 0.77 RAB9A (0.67) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL7160214 0.75 RAB9A (0.71) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL7848400 0.74 RAB9A (0.66) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL6632968 0.74 RAB9A (1.00) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL7743467 0.72 RAB9A (0.75) RAB9ANPC1PTPN2PTPN1PTPN6
SCHEMBL5448328 0.72 RAB9A (0.73) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL7159313 0.72 KDM4E (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed