SCHEMBL8330160

SCHEMBL8330160

O=C(O)c1c(Cl)c(-c2cccnc2Cl)n2c1C(O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 3/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2C19 P33261 1/20 0.31
CYP2D6 P10635 1/20 0.31
MALT1 Q9UDY8 1/20 0.31

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
SCHEMBL7965010 0.90 HCRTR1 (0.33) DHODHHCRTR1HCRTR2FAAHALDH1A1
SCHEMBL7952522 0.90 ALDH1A1 (0.35) DHODHSMN1; SMN2LMNAHCRTR1HCRTR2
SCHEMBL8330821 0.89 DHODH (0.36) DHODHMALT1
SCHEMBL7962103 0.87 MEN1 (0.35) SMN1; SMN2LMNAKMT2AALDH1A1CYP2C19
SCHEMBL8329371 0.86 DPP4 (0.35) DHODHSMN1; SMN2LMNAHCRTR1HCRTR2
SCHEMBL8328923 0.86 DHODH (0.37) DHODHSMN1; SMN2LMNAHCRTR1HCRTR2
SCHEMBL8326401 0.85 DHODH (0.37) DHODHSMN1; SMN2LMNAHCRTR1HCRTR2
SCHEMBL7965374 0.83 DHODH (0.36) DHODHHCRTR1HCRTR2FAAHALDH1A1
SCHEMBL7961792 0.82 DHODH (0.36) DHODHHCRTR1HCRTR2FAAHALDH1A1
SCHEMBL7961108 0.80 DHODH (0.35) DHODHSMN1; SMN2LMNAHCRTR1HCRTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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