SCHEMBL13388583

SCHEMBL13388583

C=C1N2CCc3cccc(c32)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.44
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.33
DRD2 P14416 5/20 0.33
HTR1A P08908 3/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 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
SCHEMBL1584900 0.81 MAP2K1 (0.41) MAP2K1CA12CA1CA2CA4
SCHEMBL12721273 0.74 LMNA (0.46) MAP2K1CA12CA1CA2CA4
SCHEMBL6746387 0.71 MAP2K1 (0.56) MAP2K1CA12CA1CA2CA4
SCHEMBL13308993 0.70 ALDH1A1 (0.43) MAP2K1ALDH1A1GAAMEN1KMT2A
SCHEMBL17355366 0.68 HTR2C (0.37) HTR2CHTR2AHTR2BDRD2DRD4
SCHEMBL19998252 0.67 CA12 (0.41) MAP2K1CA12CA1CA2CA4
SCHEMBL12721274 0.66 HTT (0.43) MAP2K1ALDH1A1GAAHTR2CMEN1
SCHEMBL22213986 0.64 MAP2K1 (0.36) MAP2K1CA12CA1CA2CA4
SCHEMBL15325421 0.64 MAP2K1 (0.51) MAP2K1ALDH1A1HTR2CHTR2AHTR2B
SCHEMBL4603103 0.63 MEN1 (0.37) ALDH1A1GAAMEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9368729-B2 Mixtures for producing photoactive layers for organic solar cells and organic photodetectors BASF SE (DE) 2016-06-14 US disclosed
US-9368729-B2 Mixtures for producing photoactive layers for organic solar cells and organic photodetectors BASF SE (DE) 2016-06-14 US disclosed
EP-2489084-B1 COMPOSITIONS FOR THE PRODUCTION OF PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTO DETECTORS BASF SE (DE) 2015-12-23 EP disclosed
EP-2489084-B1 COMPOSITIONS FOR THE PRODUCTION OF PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTO DETECTORS BASF SE (DE) 2015-12-23 EP disclosed
US-20120267579-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-10-25 US disclosed