SCHEMBL9311601

SCHEMBL9311601

ClCc1cccc(CCc2cccc(CCl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
TAAR1 Q96RJ0 7/20 0.43
CYP19A1 P11511 1/20 0.43
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
CYP2D6 P10635 1/20 0.40
NOS3 P29474 1/20 0.40
LMNA P02545 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL9454763 0.93 MAOA (0.56) TSHRMEN1KMT2AMAOAMAOB
SCHEMBL225197 0.91 TSHR (0.54) TSHRMEN1KMT2ATAAR1NOS1
SCHEMBL28326229 0.90 TSHR (0.45) TSHRMEN1KMT2AMAOAMAOB
SCHEMBL33722031 0.90 TSHR (0.45) TSHRMEN1KMT2AMAOAMAOB
SCHEMBL13064226 0.85 TSHR (0.42) TSHRMEN1KMT2ATAAR1DRD2
SCHEMBL28065354 0.85 TDP1 (0.52) TSHRMEN1KMT2ATAAR1NOS1
SCHEMBL27999917 0.85 TDP1 (0.52) TSHRMEN1KMT2AMAOAMAOB
SCHEMBL13857069 0.83 TSHR (0.48) TSHRMEN1KMT2ATAAR1
SCHEMBL23794950 0.82 LPL (0.49)
SCHEMBL4839367 0.82 TSHR (0.40) TSHRMEN1KMT2AMAOAMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6080894-A None JP disclosed
JP-H0680894-A AZO-BASED COMPOUND MITA IND CO LTD 1994-03-22 JP disclosed