SCHEMBL8631349

SCHEMBL8631349

Cc1ccc2c(Cl)c(C(=O)NP(N)(N)=O)sc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.66
MAPT P10636 9/20 0.66
NPC1 O15118 8/20 0.66
LMNA P02545 3/20 0.66
GAA P10253 2/20 0.66
BCL2L1 Q07817 1/20 0.63
MCL1 Q07820 1/20 0.63
SMN1; SMN2 Q16637 9/20 0.58
NPSR1 Q6W5P4 2/20 0.58
PPARG P37231 1/20 0.58
NR2E3 Q9Y5X4 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
PKM P14618 2/20 0.56
OPRM1 P35372 2/20 0.55
RXFP1 Q9HBX9 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TP53 P04637 2/20 0.54
HPGD P15428 2/20 0.53
F10 P00742 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
SCHEMBL8631382 0.80 OGG1 (0.70) RAB9AMAPTNPC1LMNAGAA
SCHEMBL9178739 0.80 MCL1 (0.74) RAB9AMAPTNPC1LMNAGAA
SCHEMBL8709448 0.80 RAB9A (0.41) RAB9AMAPTNPC1LMNAGAA
SCHEMBL5023231 0.78 MCL1 (0.77) RAB9AMAPTNPC1LMNAGAA
SCHEMBL415459 0.78 MCL1 (0.77) RAB9AMAPTNPC1LMNAGAA
SCHEMBL417349 0.78 MCL1 (1.00) RAB9AMAPTNPC1LMNAGAA
SCHEMBL5023563 0.77 MCL1 (0.70) RAB9AMAPTNPC1LMNAGAA
Hydrochloric Acid SCHEMBL11398368 0.77 MCL1 (0.97) RAB9AMAPTNPC1LMNAGAA
SCHEMBL14615371 0.76 MCL1 (0.68) RAB9AMAPTNPC1LMNAGAA
SCHEMBL13659630 0.74 MCL1 (0.70) RAB9AMAPTNPC1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed