SCHEMBL6607093

SCHEMBL6607093

COc1ncc(/C(C#N)=C/c2ccncc2)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
HIF1A Q16665 1/20 0.43
EGFR P00533 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
PDE4D Q08499 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4A P27815 2/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40

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
SCHEMBL6607099 1.00 SMN1; SMN2 (0.43) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6606790 0.90 KDM4E (0.57) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6606794 0.90 KDM4E (0.57) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6606444 0.87 EGFR (0.44) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6609699 0.87 MEN1 (0.39) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6606448 0.87 EGFR (0.44) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6609704 0.87 MEN1 (0.39) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6605364 0.83 PDE4D (0.43) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6605361 0.83 PDE4D (0.43) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6605175 0.83 PDE4A (0.48) SMN1; SMN2RECQLHIF1AEGFRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed