SCHEMBL10895992

SCHEMBL10895992

Cc1ccc(N=[C]c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
SLC22A2 O15244 2/20 0.40
SLC22A1 O15245 2/20 0.40
SLC22A3 O75751 2/20 0.40
KIF11 P52732 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
TYR P14679 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CSNK1D P48730 1/20 0.32
CSNK1G2 P78368 1/20 0.32
HSD17B2 P37059 2/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL10898456 0.86 ALDH1A1 (0.44) SLC22A2SLC22A1SLC22A3NPC1MAPT
SCHEMBL7948183 0.76 TSHR (0.71) TSHRSLC22A2SLC22A1SLC22A3KIF11
SCHEMBL166690 0.74 TSHR (1.00) TSHRSLC22A2SLC22A1SLC22A3KIF11
SCHEMBL5495871 0.74 TSHR (1.00) TSHRSLC22A2SLC22A1SLC22A3KIF11
SCHEMBL10897691 0.74 CYP2A6 (0.44) TSHRALDH1A1CYP2A6PLAU
SCHEMBL10898807 0.74 ACHE (0.56) TSHRNPC1MAPTRAB9ALMNA
Hydrogen Sulfide SCHEMBL27843123 0.72 TSHR (0.94) TSHRSLC22A2SLC22A1SLC22A3KIF11
SCHEMBL25494719 0.70 SLC22A2 (0.47) TSHRSLC22A2SLC22A1SLC22A3KIF11
SCHEMBL827333 0.70 TSHR (0.50) TSHRSLC22A2SLC22A1SLC22A3KIF11
SCHEMBL1434985 0.70 P2RY6 (0.50) TSHRSLC22A2SLC22A1SLC22A3KIF11

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
US-4585574-A POSITIVE DIELECTRIC ANISOTROPY BAYER AKTIENGESELLSCHAFT (DE) 1986-04-29 US claimed