SCHEMBL9021065

SCHEMBL9021065

CCCNCC(C)(Cn1ccnc1)Oc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 3/20 0.37
HSP90AA1 P07900 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 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
SCHEMBL9021182 0.83 LMNA (0.50) ALDH1A1TSHRCYP11B1CYP11B2MEN1
SCHEMBL7875256 0.78 TSHR (0.57) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11641434 0.77 ALDH1A1 (0.46) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11641542 0.75 TSHR (0.46) ALDH1A1MAPK1ALOX15HSD17B10TSHR
Hydrochloric Acid SCHEMBL9020780 0.71 CYP11B1 (0.43) TSHRCYP11B1CYP11B2LMNACYP1A2
SCHEMBL11643874 0.70 ALDH1A1 (0.51) ALDH1A1MAPK1ALOX15HSD17B10TSHR
Hydrochloric Acid SCHEMBL9021146 0.69 TP53 (0.43) ALDH1A1TSHRCYP11B1CYP11B2LMNA
SCHEMBL10959040 0.68 CYP3A4 (0.54) ALOX15TDP1KMT2ALMNACYP1A2
SCHEMBL11840642 0.67 ALDH1A1 (0.50) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11643409 0.66 FNTA (0.46) ALOX15TSHRCYP11B1CYP11B2FNTA

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
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed