SCHEMBL7963438

SCHEMBL7963438

COC1=Cc2c(C#N)c(Cl)c(-c3cccnc3Cl)n2CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7962634 0.90 CYP11B2 (0.36) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL7968043 0.85 KDM4E (0.32) ALDH1A1KDM4EGAA
SCHEMBL7964663 0.82 CYP11B2 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7965124 0.80 DHODH (0.32) MAPT
SCHEMBL8325837 0.80 DHODH (0.38) MAPTRAB9ALMNAKMT2A
SCHEMBL7965202 0.79 HPGD (0.32) HPGD
SCHEMBL7952692 0.79 IDO1 (0.36) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL7962248 0.77 CYP11B2 (0.31)
SCHEMBL7946704 0.75 CYP11B2 (0.39)
SCHEMBL7962898 0.72 ALDH1A1 (0.32) ALDH1A1MAPTKDM4EHPGDGAA

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
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