SCHEMBL6607038

SCHEMBL6607038

COc1cnc(CC#N)cc1SC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.43
PDGFRA P16234 5/20 0.43
ALDH1A1 P00352 2/20 0.34
MAP2K1 Q02750 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
AR P10275 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
LMNA P02545 1/20 0.31
BCL2 P10415 2/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 2/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
QRFPR Q96P65 1/20 0.31

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
SCHEMBL6605575 0.76 PDE4B (0.44) PDGFRBPDGFRALMNAPDE4APDE4B
SCHEMBL15142441 0.70 AXL (0.35) ALDH1A1KDM4EHTTHPGD
SCHEMBL6606419 0.70 MDM2 (0.36) ALDH1A1KDM4EHTTHPGD
SCHEMBL6606117 0.68 PDGFRB (0.35) PDGFRBPDGFRAALDH1A1KDM4EHTT
SCHEMBL6608302 0.68 KDM4E (0.36) ALDH1A1KDM4EHTTLMNA
SCHEMBL6605813 0.68 POLB (0.44) PDGFRBPDGFRAALDH1A1KDM4EPDE4A
SCHEMBL6609750 0.67 PDE4B (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL6607129 0.66 PDE4B (0.50) PDGFRBPDGFRAPDE4APDE4BPDE4C
SCHEMBL6606573 0.66 PDE3B (0.36) ARPDE4APDE4BPDE4CPDE4D
SCHEMBL6606602 0.65 PDE4B (0.44) PDE4APDE4BPDE4CPDE4D

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