SCHEMBL1363953

SCHEMBL1363953

Cc1ccc(-n2cc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PDE11A Q9HCR9 1/20 0.40
▸ HPGD P15428 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ NCOA2 Q15596 2/20 0.39
▸ NCOA1 Q15788 2/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ GRM1 Q13255 1/20 0.38

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
SCHEMBL12872136 0.79 ADORA1 (0.45) ALDH1A1KDM4ERXFP1MAPTHTT
SCHEMBL12677404 0.76 KDM4E (0.45) ALDH1A1KDM4ERXFP1MAPTLMNA
SCHEMBL28549036 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ERXFP1LMNAHPGD
SCHEMBL18947278 0.70 DYRK1A (0.42) ALDH1A1KDM4EMAPTHTTLMNA
SCHEMBL9042162 0.68 ALDH1A1 (0.36) ALDH1A1KDM4ERXFP1MAPTHTT
SCHEMBL28539074 0.68 HTT (0.48) ALDH1A1KDM4EMAPTHTTLMNA
SCHEMBL28697595 0.67 ABCB1 (0.60) ALDH1A1KDM4EMAPTHTTLMNA
SCHEMBL28352941 0.66 ALDH1A1 (0.41) ALDH1A1KDM4ERXFP1MAPTHTT
SCHEMBL9043906 0.66 LMNA (0.37) ALDH1A1KDM4ERXFP1MAPTHTT
SCHEMBL7008778 0.65 LMNA (0.44) ALDH1A1KDM4ERXFP1MAPTHTT

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
US-20100221647-A1 PYRROLE CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2010-09-02 — — US claimed
US-8067138-B2 Pyrrole containing photoconductors XEROX CORPORATION (US) 2011-11-29 — — US disclosed
US-8067138-B2 Pyrrole containing photoconductors XEROX CORPORATION (US) 2011-11-29 — — US disclosed
US-8067138-B2 Pyrrole containing photoconductors XEROX CORPORATION (US) 2011-11-29 — — US disclosed
US-20100221647-A1 PYRROLE CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2010-09-02 — — US disclosed
US-20100221647-A1 PYRROLE CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2010-09-02 — — US disclosed
US-20100221647-A1 PYRROLE CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2010-09-02 — — US disclosed
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