SCHEMBL11201145

SCHEMBL11201145

Clc1ccccc1C1OC1c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.47
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
TP53 P04637 2/20 0.43
RECQL P46063 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
DPP4 P27487 1/20 0.42
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
KDM1A O60341 1/20 0.37

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
SCHEMBL93210 0.89 SLC6A3 (0.41) TSHRLMNAHTR2AHTR2CHTR2B
SCHEMBL4385331 0.85 SLC6A2 (0.44) HTR2AHTR2CHTR2BGAAKMT2A
SCHEMBL14155985 0.85 SLC6A2 (0.44) HTR2AHTR2CHTR2BGAAKMT2A
SCHEMBL18504403 0.84 TSHR (0.43) TSHRLMNAHTR2AHTR2CHTR2B
SCHEMBL23376906 0.82 SMN1; SMN2 (0.42) TSHRLMNAHTR2AHTR2CHTR2B
SCHEMBL30064748 0.82 EPHX1 (0.40) TSHRHTR2AHTR2CHTR2BTP53
SCHEMBL231069 0.78
SCHEMBL1498876 0.77 HTR2A (0.42) TSHRLMNAHTR2AHTR2CHTR2B
SCHEMBL4087354 0.77 SLC5A2 (0.43) TSHRLMNAHTR2AHTR2CHTR2B
SCHEMBL4077173 0.77 SLC5A2 (0.43) TSHRLMNAHTR2AHTR2CHTR2B

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-4413003-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1983-11-01 US disclosed