SCHEMBL8939299

SCHEMBL8939299

N#CCCCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.47
FDFT1 P37268 2/20 0.47
HDAC1 Q13547 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MGLL Q99685 1/20 0.44
FFAR1 O14842 1/20 0.44
MAOB P27338 2/20 0.44
LTB4R Q15722 1/20 0.43
HSD11B1 P28845 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL11744015 0.98 HDAC2 (0.49) HDAC2FDFT1HDAC1TSHRHSD17B10
SCHEMBL20329281 0.94 FDFT1 (0.49) HDAC2FDFT1HDAC1TSHRHSD17B10
SCHEMBL9553703 0.92 TSHR (0.52) HDAC2FDFT1TSHRHSD17B10
SCHEMBL9553062 0.92 TSHR (0.52) HDAC2FDFT1TSHRHSD17B10
SCHEMBL9552802 0.88 TSHR (0.49) HDAC2FDFT1TSHRHSD17B10
SCHEMBL1162643 0.88 MAOA (0.52) MAOB
SCHEMBL23649359 0.86 MEN1 (0.54) TSHRFFAR1TAAR1
SCHEMBL11077476 0.86 SIGMAR1 (0.52) MAOB
SCHEMBL972063 0.86 SIGMAR1 (0.52) MAOB
SCHEMBL11805105 0.86 SIGMAR1 (0.52) MAOB

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-5498363-A Electrorheological fluid AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-03-12 US disclosed