SCHEMBL4435376

SCHEMBL4435376

CSCc1oc(-c2ccccc2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KDM4E B2RXH2 5/20 0.42
PPARD Q03181 4/20 0.41
FFAR1 O14842 1/20 0.41
HPGD P15428 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PPARG P37231 3/20 0.40
NCOA2 Q15596 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
VDR P11473 2/20 0.39

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
SCHEMBL4553353 0.88 GAA (0.45) GAAKDM4EPPARDFFAR1HPGD
SCHEMBL14382241 0.81 GAA (0.47) GAAKDM4EPPARDFFAR1HPGD
SCHEMBL5013674 0.79 NOTUM (0.47) GAAKDM4EPPARDFFAR1HPGD
SCHEMBL6377222 0.79 KDM4E (0.51) GAAKDM4EPPARDFFAR1HPGD
SCHEMBL2419932 0.79 ALDH1A1 (0.47) GAAKDM4EPPARDFFAR1HPGD
SCHEMBL6376282 0.79 GAA (0.46) GAAKDM4EPPARDFFAR1HPGD
SCHEMBL14382242 0.78 KDM4E (0.47) GAAKDM4EPPARDFFAR1HPGD
SCHEMBL820892 0.77 GAA (0.48) GAAKDM4EPPARDFFAR1HPGD
SCHEMBL4427114 0.77 VDR (0.50) GAAKDM4EPPARDFFAR1PPARG
SCHEMBL3795755 0.75 KDM4E (0.63) GAAKDM4EPPARDFFAR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934311-B1 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES BAYER HEALTHCARE AG (DE) 2009-05-13 EP disclosed
WO-2007065010-A2 ANTI-ANGIOGENESIS COMPOUNDS HIF BIO, INC. (US) 2007-06-07 WO disclosed
US-6462068-B1 CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
US-6414009-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-6410740-B1 CYCLIZATION OF THE CORRESPONDING AMIDE BAYER AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-6387940-B1 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6166027-A Heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
CN-1241188-A Heterocyclylmethyl-substed pyrazol derivs. BAYER AG (DE) 2000-01-12 CN disclosed
EP-0934311-A2 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES BAYER AG (DE) 1999-08-11 EP disclosed
WO-1998016507-A2 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-23 WO disclosed