SCHEMBL1924845

SCHEMBL1924845

O=C(O)N(Cc1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HTT P42858 4/20 0.55
NPC1 O15118 3/20 0.55
PAX8 Q06710 2/20 0.55
JAK2 O60674 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
GLA P06280 1/20 0.54
MAPT P10636 2/20 0.53
BCL2A1 Q16548 1/20 0.53
LMNA P02545 1/20 0.53
ATM Q13315 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.51
TAS2R14 Q9NYV8 1/20 0.47
TSPO P30536 1/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
PDK1 Q15118 1/20 0.46
CRHBP P24387 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
Trifluoroacetic Acid SCHEMBL5435376 0.91 RAB9A (0.48) RAB9AALDH1A1HTTNPC1PAX8
SCHEMBL1336106 0.89 BCL2A1 (0.50) RAB9AALDH1A1HTTNPC1PAX8
SCHEMBL28986105 0.82 NPC1 (0.61) RAB9AALDH1A1HTTNPC1PAX8
SCHEMBL1927016 0.82 ALDH1A1 (0.69) RAB9AALDH1A1HTTNPC1PAX8
SCHEMBL14166018 0.81 PDK1 (0.57) RAB9AALDH1A1HTTNPC1PAX8
SCHEMBL4242009 0.81 NPC1 (0.59) RAB9AALDH1A1HTTNPC1PAX8
SCHEMBL1924742 0.80 RAB9A (0.76) RAB9AALDH1A1HTTNPC1PAX8
SCHEMBL1925718 0.80 RAB9A (0.51) RAB9AALDH1A1HTTNPC1PAX8
SCHEMBL4935083 0.80 ALDH1A1 (0.54) RAB9AALDH1A1HTTNPC1PAX8
SCHEMBL6827496 0.80 RAB9A (0.53) RAB9AALDH1A1HTTNPC1PAX8

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-1300407-B2 CARBAMATES DERIVED FROM ARYLALKYLAMINES S A L V A T LAB SA (ES) 2011-06-08 EP claimed