SCHEMBL5743717

SCHEMBL5743717

Cc1[nH]c(-c2ccccc2F)c(C)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CUL4A Q13619 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ ADORA1 P30542 3/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ ADORA2A P29274 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PDE9A O76083 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ GRIA4 P48058 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4624842 0.84 DYRK1A (0.43) CUL4ADYRK1AADORA1ADORA2BADORA2A
SCHEMBL5745810 0.79 KDM4E (0.45) DYRK1AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL6381138 0.76 SMN1; SMN2 (0.49) DYRK1AADORA2AALDH1A1HSD17B10KMT2A
SCHEMBL10379141 0.71 ALDH1A1 (0.54) ALDH1A1HSD17B10POLBKMT2AALOX5
SCHEMBL23704139 0.71 GSK3B (0.46) PDE10AKMT2APDE9ADRD2HTR2A
SCHEMBL29994042 0.71 GSK3B (0.46) PDE10AKMT2APDE9ADRD2HTR2A
SCHEMBL28148660 0.69 ACHE (0.45) CUL4ADYRK1AADORA1ADORA2BADORA2A
SCHEMBL28843463 0.68 POLB (0.54) CUL4APDE10AALDH1A1POLBKMT2A
SCHEMBL2569036 0.67 ADORA1 (0.46) CUL4AADORA1ADORA2BADORA2APDE10A
SCHEMBL27425532 0.67 CUL4A (0.37) CUL4ADYRK1AADORA1ADORA2BADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842923-B1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU CO LTD (JP) 2006-03-01 — — EP disclosed
US-6172102-B1 POLLAKIURIA OR URINARY INCONTINENCE NIPPON SHINYAKU CO., LTD. (JP) 2001-01-09 — — US disclosed
US-5998459-A INCOTINENCE THERAPY NIPPON SHINYAKU CO., LTD. (JP) 1999-12-07 — — US disclosed
EP-0842923-A1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-05-20 — — EP disclosed
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