SCHEMBL27868947

SCHEMBL27868947

CC(=O)OCc1csc(-c2cc(Br)cc(C(F)(F)F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 6/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 5/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL1198654 0.83 ALDH1A1 (0.57) SMN1; SMN2RAB9ANPC1MAPTTSHR
SCHEMBL27636079 0.82 POLB (0.53) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL627613 0.82 LMNA (0.45) RHOCRHOAPOLBMAPTLMNA
SCHEMBL628071 0.81 LMNA (0.53) RHOCRHOASMN1; SMN2POLBLMNA
SCHEMBL27657106 0.80 TP53 (0.51) SMN1; SMN2POLBRAB9ANPC1MAPT
Lithium Ion SCHEMBL27657107 0.79 TP53 (0.50) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL13148445 0.76 LMNA (0.43) RHOCRHOASMN1; SMN2POLBLMNA
SCHEMBL628077 0.72 RHOC (0.50) RHOCRHOAPOLBMAPTLMNA
SCHEMBL627651 0.71 LMNA (0.59) RHOCRHOASMN1; SMN2POLBLMNA
SCHEMBL18724389 0.71 DYRK1A (0.42) RAB9ANPC1MAPTLMNAMEN1

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
CN-102459203-A Compositions and methods for modulating retinol binding to retinol binding protein 4(RBP4) IRM LLC 2012-05-16 CN disclosed