SCHEMBL5010083

SCHEMBL5010083

CC(Cc1ccccc1)Nc1ccc(C(c2ccc(Cl)cc2)c2ccc(NC(C)Cc3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.46
TAAR1 Q96RJ0 3/20 0.46
SLC18A2 Q05940 1/20 0.46
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
HTR1A P08908 2/20 0.42
CNR1 P21554 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL3905889 0.91 SIGMAR1 (0.54) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL31443251 0.85 ALDH1A1 (0.50) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL5010076 0.82 ALDH1A1 (0.51) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL5011838 0.80 MEN1 (0.53) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL903704 0.80 SIGMAR1 (0.63) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL29020992 0.77 SIGMAR1 (0.55) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL28968154 0.75 EPHX1 (0.44) SIGMAR1ALDH1A1MAPK1LMNACNR1
SCHEMBL8716574 0.75 SIGMAR1 (0.52) SIGMAR1TAAR1SLC18A2LMNAHTR1A
SCHEMBL23929162 0.75 KMT2A (0.43) CYP3A4ALOX15MAPK1HIF1ALMNA
SCHEMBL7149101 0.75 ADRB2 (0.66) CYP3A4TSHRMAPK1HIF1AHSD17B10

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