SCHEMBL20683392

SCHEMBL20683392

BCCCCC(N)(C(=O)O)C1CCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.51
RAB9A P51151 7/20 0.51
PPARG P37231 6/20 0.49
PPARD Q03181 6/20 0.49
PPARA Q07869 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 1/20 0.48
ARG1 P05089 2/20 0.47
ARG2 P78540 2/20 0.47
CNR2 P34972 1/20 0.47
TP53 P04637 2/20 0.46
MITF O75030 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL895033 0.90 ARG1 (0.60) NPC1RAB9APPARGPPARDPPARA
Hydrochloric Acid SCHEMBL16291141 0.89 ARG1 (0.59) NPC1RAB9APPARGPPARDPPARA
SCHEMBL20683384 0.80 ARG1 (0.46) ARG1ARG2
SCHEMBL20683534 0.76 ARG1 (0.50) PPARGPPARDPPARAMAPTARG1
SCHEMBL15919892 0.74 NPC1 (0.62) NPC1RAB9APPARGPPARDPPARA
SCHEMBL20683386 0.73 ARG1 (0.48) SMN1; SMN2MAPTARG1ARG2
SCHEMBL1729140 0.73 PPARG (0.60) NPC1RAB9APPARGPPARDPPARA
SCHEMBL334720 0.73 NPC1 (0.70) NPC1RAB9APPARGPPARDPPARA
SCHEMBL333717 0.73 NPC1 (0.70) NPC1RAB9APPARGPPARDPPARA
SCHEMBL334455 0.73 NPC1 (0.62) NPC1RAB9APPARGPPARDPPARA

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
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed