SCHEMBL7717504

SCHEMBL7717504

N#Cc1cc(NC(=O)c2ccco2)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.58
NPC1 O15118 10/20 0.58
SMN1; SMN2 Q16637 8/20 0.58
TP53 P04637 4/20 0.58
KDM4E B2RXH2 2/20 0.58
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
ALDH1A1 P00352 3/20 0.56
PKM P14618 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN6 P29350 1/20 0.55
PTPN11 Q06124 1/20 0.55
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL22983097 0.81 PKM (0.66) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL7783833 0.81 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL7783831 0.78 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL7716934 0.76 RAB9A (0.81) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL7715871 0.76 NPSR1 (0.73) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL7716927 0.75 PTPN2 (0.75) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL23011774 0.75 ALDH1A1 (0.84) RAB9ANPC1SMN1; SMN2ALDH1A1CASP3
SCHEMBL3647264 0.75 ALDH1A1 (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1CASP3
SCHEMBL6815182 0.74 ALDH1A1 (0.63) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL27952574 0.74 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TP53KDM4E

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-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed