SCHEMBL2459987

SCHEMBL2459987

Cc1ccccc1C(C)(C)NC(C)(C)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ACHE P22303 2/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
CASR P41180 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 3/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2A6 P11509 2/20 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
SCHEMBL20989634 0.83 TSHR (0.41) TSHRACHEGABRA1GABRB2CASR
SCHEMBL5057355 0.81 GABRA1 (0.43) TSHRACHEGABRA1GABRB2CASR
SCHEMBL9128816 0.78 GABRA1 (0.36) TSHRACHEGABRA1GABRB2CASR
Hydrochloric Acid SCHEMBL31556345 0.76 KCNN4 (0.41) TSHRACHEGABRA1GABRB2CASR
SCHEMBL6435840 0.76 PDK1 (0.41) GABRA1GABRB2ALDH1A1TDP1HPGD
SCHEMBL5496813 0.76 GABRA1 (0.58) TSHRACHEGABRA1GABRB2CASR
SCHEMBL8784146 0.76 TSHR (0.50) TSHRACHEGABRA1GABRB2CASR
SCHEMBL1945388 0.76 TSHR (0.50) TSHRACHEGABRA1GABRB2CASR
SCHEMBL30337376 0.76 TSHR (0.50) TSHRACHEGABRA1GABRB2CASR
SCHEMBL30407772 0.76 GABRA1 (0.58) TSHRACHEGABRA1GABRB2CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749450-B1 COATING COMPOSITION AND PROCESS FOR FORMING CURED FILM NIPPON PAINT CO LTD (JP) 2000-07-05 EP claimed
EP-2227477-B1 ORTHO-METALATED, CHELATE-STABILIZED BENZYLAMINES OF THE RARE EARTH METALS (RE) UNIV MARBURG PHILIPPS (DE) 2011-09-28 EP disclosed
EP-2227477-A1 ORTHO-METALATED, CHELATE-STABILIZED BENZYLAMINES OF THE RARE EARTH ELEMENTS (RE) Philipps-Universität Marburg (DE) 2010-09-15 EP disclosed
WO-2009067999-A1 ORTHO-METALATED, CHELATE-STABILIZED BENZYLAMINES OF THE RARE EARTH ELEMENTS (RE) PHILIPPS-UNIVERSITÄT MARBURG (DE) 2009-06-04 WO disclosed
EP-0749450-A1 COATING COMPOSITION, PROCESS FOR FORMING CURED FILM AND COATED ARTICLE NIPPON PAINT CO., LTD. (JP) 1996-12-27 EP disclosed
WO-1995023820-A1 COATING COMPOSITION, PROCESS FOR FORMING CURED FILM AND COATED ARTICLE NIPPON PAINT CO., LTD. (JP) 1995-09-08 WO disclosed
US-4115428-A RHODIUM CARBONYL CARBIDO CLUSTER COMPOUND UNION CARBIDE CORPORATION (US) 1978-09-19 US disclosed