SCHEMBL7963272

SCHEMBL7963272

COC1=Cc2c(C(C)=O)c(Cl)c(-c3cccnc3F)n2CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.32
PARP1 P09874 1/20 0.32
DHODH Q02127 2/20 0.31
FPR1 P21462 1/20 0.30
FPR2 P25090 1/20 0.30
PDE4A P27815 1/20 0.30
GPR84 Q9NQS5 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
SCHEMBL8328950 0.92 DHODH (0.37) GSK3BDHODHFPR1FPR2PDE4A
SCHEMBL7961829 0.91 IDO1 (0.35) GSK3BFPR1FPR2
SCHEMBL7952322 0.91 SQOR (0.34) GSK3BPARP1DHODHFPR1FPR2
SCHEMBL7965124 0.90 DHODH (0.32) DHODH
SCHEMBL7961290 0.88 DHODH (0.33) PARP1DHODHFPR1FPR2
SCHEMBL8325837 0.82 DHODH (0.38) DHODH
SCHEMBL7961118 0.81 HSP90AA1 (0.35) GSK3BFPR1FPR2
SCHEMBL7965202 0.81 HPGD (0.32) DHODH
SCHEMBL7952692 0.81 IDO1 (0.36) GSK3BDHODH
SCHEMBL7962634 0.81 CYP11B2 (0.36)

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