SCHEMBL7961775

SCHEMBL7961775

COC1=Cc2c(C(N)=O)c(Cl)c(-c3cccnc3)n2CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.39
MKNK2 Q9HBH9 5/20 0.39
CYP11B2 P19099 8/20 0.36
CYP11B1 P15538 3/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 1/20 0.36
P2RX7 Q99572 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
HTR2C P28335 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
CYP3A4 P08684 1/20 0.34
NR4A2 P43354 1/20 0.34
KLK3 P07288 1/20 0.34

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
SCHEMBL7963731 0.91 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1CYP19A1P2RX7
SCHEMBL8330546 0.91 CYP11B2 (0.37) MKNK1MKNK2CYP11B2CYP11B1CYP17A1
SCHEMBL7962927 0.90 NR4A2 (0.40) CYP11B2CYP11B1CYP17A1CYP19A1P2RX7
SCHEMBL7953077 0.86 MKNK1 (0.40) MKNK1MKNK2CYP11B2P2RX7CSNK1D
SCHEMBL7967737 0.84 MKNK1 (0.39) MKNK1MKNK2CYP11B2P2RX7CSNK1D
SCHEMBL7967794 0.84 MKNK1 (0.37) MKNK1MKNK2CYP11B2CYP11B1P2RX7
Hydrochloric Acid SCHEMBL7964870 0.83 MKNK1 (0.38) MKNK1MKNK2CYP11B2P2RX7CSNK1D
SCHEMBL7965202 0.82 HPGD (0.32)
SCHEMBL7964663 0.80 CYP11B2 (0.41) CYP11B2CYP11B1CYP17A1CYP19A1PDE7A
SCHEMBL7952322 0.80 SQOR (0.34) MKNK1MKNK2

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