SCHEMBL19073273

SCHEMBL19073273

Cc1ccc2c3ccc(C)cc3n(CC(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ NR1D1 P20393 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RGS4 P49798 1/20 0.39
▸ RGS8 P57771 1/20 0.39
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL17265047 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL17265042 0.84 KDM4E (0.50) ALDH1A1KDM4EHPGDHTR2AHTR2C
SCHEMBL18947667 0.81 HTR2A (0.36) ALDH1A1KDM4EHTR2AHTR2CLMNA
SCHEMBL15458637 0.80 KDM4E (0.62) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL29556276 0.78 DNM1 (0.44) ALDH1A1KDM4EHPGDHTR2AHTR2C
SCHEMBL19056362 0.78 DNM1 (0.44) ALDH1A1KDM4EHPGDHTR2AHTR2C
SCHEMBL12548590 0.77 KDM4E (0.43) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL13562924 0.74 HPGD (0.65) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL17265044 0.74 DYRK1A (0.44) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL23739435 0.73 DYRK1A (0.43) ALDH1A1KDM4EHPGDLMNAMAPT

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-3397637-B1 COMPOUND FOR PHOTOACTIVE ORGANIC ELECTRONIC ELEMENT, AND PHOTOACTIVE ORGANIC ELECTRONIC ELEMENT COMPRISING THE COMPOUND HELIATEK GMBH (DE) 2021-08-11 — — EP disclosed
EP-3187496-A1 COMPOUND FOR PHOTOACTIVE ORGANIC ELECTRONIC DEVICES AND PHOTOACTIVE ORGANIC ELECTRONIC COMPONENT CONTAINING THE COMPOUND Heliatek GmbH (DE) 2017-07-05 — — EP disclosed
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