SCHEMBL8328134

SCHEMBL8328134

Cc1c(C(=O)O)c2n(c1-c1cccnc1F)CCC=C2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.44
NAPRT Q6XQN6 1/20 0.36
IDO1 P14902 3/20 0.32
PTGS2 P35354 1/20 0.31
PLAU P00749 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
SCHEMBL7967747 0.91 DHODH (0.38) DHODHNAPRTPLAU
SCHEMBL7963937 0.90 DHODH (0.37) DHODHNAPRTPLAU
SCHEMBL7965052 0.88 DHODH (0.36) DHODHIDO1
SCHEMBL8329857 0.87 DHODH (0.38) DHODHNAPRTIDO1PLAU
SCHEMBL8329410 0.87 DHODH (0.44) DHODHIDO1
SCHEMBL8329745 0.86 DHODH (0.38) DHODHNAPRTIDO1
SCHEMBL8325506 0.85 DHODH (0.36) DHODHNAPRTIDO1PLAU
SCHEMBL8327467 0.84 DHODH (0.36) DHODHNAPRT
SCHEMBL7962199 0.81 DHODH (0.33) DHODHNAPRT
SCHEMBL7962686 0.80 DHODH (0.32) DHODHPLAU

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
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
EP-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 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
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed