SCHEMBL8326689

SCHEMBL8326689

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.36
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.32
HSD11B1 P28845 1/20 0.32
P2RX7 Q99572 2/20 0.32
IDO1 P14902 2/20 0.31
RORC P51449 4/20 0.30
PPARG P37231 1/20 0.30
SLC6A7 Q99884 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
SCHEMBL7953686 0.91 POLB (0.31) DHODHPOLB
SCHEMBL7967150 0.91 POLB (0.33) DHODHPOLB
SCHEMBL8325506 0.88 DHODH (0.36) DHODHHSD11B1IDO1SLC6A7
SCHEMBL7952188 0.88 IDO1 (0.35) DHODHPOLBIDO1RORC
SCHEMBL8328807 0.86 DHODH (0.39) DHODHLMNASMN1; SMN2POLBIDO1
SCHEMBL8329410 0.84 DHODH (0.44) DHODHLMNASMN1; SMN2POLBIDO1
SCHEMBL8329854 0.81 DHODH (0.36) DHODHLMNASMN1; SMN2
SCHEMBL8328157 0.81 DHODH (0.38) DHODHLMNASMN1; SMN2POLBIDO1
SCHEMBL7964706 0.80 KDM4E (0.33) LMNA
SCHEMBL7961614 0.79 PLAU (0.34) DHODHSLC6A7

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 claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed
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