SCHEMBL22453733

SCHEMBL22453733

Clc1cc(C2CCCCC2)ccc1Oc1ccc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 5/20 0.38
PPARA Q07869 4/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
PTGDR Q13258 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL22452618 0.85 LMNA (0.38) LMNAALDH1A1TSHRHTTKMT2A
SCHEMBL22453571 0.80 PPARG (0.37) LMNAPOLBHTTKMT2ASMN1; SMN2
SCHEMBL5942944 0.77 HAO1 (0.54) POLBALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL17050816 0.76 L3MBTL1 (0.42) LMNAPOLBALDH1A1TSHRHTT
SCHEMBL17050451 0.74 L3MBTL1 (0.41) LMNAPOLBALDH1A1TSHRHTT
SCHEMBL17050467 0.74 KDM4E (0.43) LMNAPOLBALDH1A1TSHRHTT
SCHEMBL17050469 0.73 ALDH1A1 (0.45) LMNAPOLBALDH1A1TSHRHTT
SCHEMBL6615428 0.73 PTGDR2 (0.51) HTTKMT2ASMN1; SMN2PTGDR2PTGDR
SCHEMBL22452663 0.73 DHODH (0.54) LMNAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL27544170 0.73 PPARG (0.51) LMNAKMT2ASMN1; SMN2RAB9ANPC1

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
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 WO disclosed