SCHEMBL5011841

SCHEMBL5011841

CCN(CC)c1ccc(C(c2ccc(N(CC)Cc3ccccc3)cc2)c2ccc(N(CC)Cc3ccccc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
CNR2 P34972 14/20 0.64
NR1H2 P55055 1/20 0.54
NR1H3 Q13133 1/20 0.54
CNR1 P21554 5/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
MITF O75030 1/20 0.49
MAPK1 P28482 1/20 0.49
RAD52 P43351 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL3905890 0.97 TSHR (0.70) TSHRCNR2NR1H2NR1H3CNR1
SCHEMBL5010079 0.92 TSHR (0.64) TSHRCNR2NR1H2NR1H3CNR1
SCHEMBL5010085 0.91 TSHR (0.62) TSHRCNR2NR1H2NR1H3CNR1
SCHEMBL9908983 0.89 TSHR (0.55) TSHRCNR2NR1H2NR1H3CNR1
SCHEMBL109699 0.87 CNR2 (0.53) TSHRCNR2NR1H2NR1H3CNR1
SCHEMBL27776204 0.87 CNR2 (0.53) TSHRCNR2NR1H2NR1H3CNR1
SCHEMBL4428266 0.86 TSHR (0.70) TSHRCNR2NR1H2NR1H3CNR1
SCHEMBL4314634 0.85 CNR2 (0.52) TSHRCNR2NR1H2NR1H3CNR1
SCHEMBL10953799 0.85 CYP2C19 (0.60) TSHRCNR2NR1H2NR1H3CNR1
SCHEMBL5011808 0.84 TSHR (0.54) TSHRCNR2NR1H2NR1H3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311524-A1 Method For Making Negative-Working Heat-Sensitive Lithographic Printing Plate Precursor AGFA GRAPHICS N.V. (BE) 2008-12-18 US disclosed
US-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed
EP-0239868-B1 PHOTOCHROMIC SYSTEM, LAYER PREPARED THEREOF AND ITS USE BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0239868-A1 Photochromic system, layer prepared thereof and its use BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 US disclosed