SCHEMBL7962850

SCHEMBL7962850

COc1c(C(N)=O)c2n(c1-c1cccnc1)CCC=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.41
MKNK2 Q9HBH9 10/20 0.41
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
CYP3A4 P08684 2/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
KLK3 P07288 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 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
SCHEMBL7962951 0.90 CYP11B2 (0.37) MKNK1MKNK2CYP3A4CYP19A1CYP11B1
SCHEMBL8327786 0.90 CYP11B2 (0.37) MKNK1MKNK2CYP3A4CYP19A1CYP11B1
SCHEMBL7964018 0.89 GABRA1 (0.40) CYP3A4CYP19A1CYP11B1CYP11B2ABL1
SCHEMBL7965530 0.86 MKNK1 (0.40) MKNK1MKNK2CSNK1DCSNK1ECYP3A4
SCHEMBL2158254 0.84 MKNK1 (0.43) MKNK1MKNK2CSNK1DCSNK1ECYP11B2
SCHEMBL7965727 0.82 MKNK1 (0.38) MKNK1MKNK2CSNK1DCSNK1ECYP11B1
SCHEMBL7963174 0.81 MKNK1 (0.37) MKNK1MKNK2CSNK1DCSNK1ECYP11B2
SCHEMBL7963752 0.80 SLC2A1 (0.39) CYP3A4CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL7964216 0.79 SQOR (0.35) MKNK1MKNK2CSNK1DCSNK1E
SCHEMBL7964894 0.79 MAPT (0.32) CSNK1DCSNK1ETUBB4ATUBBTUBA3C

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 6 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
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed