SCHEMBL7961792

SCHEMBL7961792

Cc1c(C(N)=O)c2n(c1-c1cccnc1Cl)CCCC2O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.36
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.32
SMO Q99835 1/20 0.30
FAAH O00519 1/20 0.30
PDE4B Q07343 1/20 0.30
USP14 P54578 1/20 0.30

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
SCHEMBL7965374 0.91 DHODH (0.36) DHODHHCRTR1HCRTR2ALDH1A1CYP2C19
SCHEMBL7952522 0.89 ALDH1A1 (0.35) DHODHMKNK1MKNK2HCRTR1HCRTR2
SCHEMBL7961108 0.88 DHODH (0.35) DHODHHCRTR1HCRTR2ALDH1A1CYP2C19
SCHEMBL7953432 0.88 MKNK1 (0.37) DHODHMKNK1MKNK2HCRTR1HCRTR2
SCHEMBL7968397 0.87 FAAH (0.33) HCRTR1HCRTR2ALDH1A1CYP2C19HPGD
SCHEMBL7961238 0.85 ALDH1A1 (0.32) HCRTR1HCRTR2ALDH1A1CYP2C19HPGD
SCHEMBL7964348 0.85 KDM4E (0.35) ALDH1A1HPGDPDE4B
SCHEMBL7965010 0.83 HCRTR1 (0.33) DHODHHCRTR1HCRTR2ALDH1A1CYP2C19
SCHEMBL8330160 0.82 DHODH (0.38) DHODHHCRTR1HCRTR2ALDH1A1CYP2C19
SCHEMBL7962103 0.80 MEN1 (0.35) ALDH1A1CYP2C19HPGDSMOPDE4B

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
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed