SCHEMBL8329319

SCHEMBL8329319

N#Cc1c(C(=O)O)c2n(c1-c1cccnc1)CCC=C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
CYP11B1 P15538 5/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KMO O15229 1/20 0.35
ADORA2B P29275 1/20 0.35
KMT2A Q03164 1/20 0.35
IKBKB O14920 1/20 0.35
MAOA P21397 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL7961877 0.90 CYP11B2 (0.40) CYP11B2GAAKDM4EGLAADORA1
SCHEMBL7965727 0.90 MKNK1 (0.38) CYP11B2GAAKDM4EGLAADORA2A
SCHEMBL7964071 0.87 CYP11B2 (0.39) CYP11B2ADORA2AADORA1CYP11B1KMT2A
SCHEMBL7952723 0.85 CYP11B2 (0.43) CYP11B2GAAKDM4EGLAADORA2A
SCHEMBL8328721 0.84 MKNK1 (0.38) CYP11B2GAAMKNK1MKNK2KMO
SCHEMBL8328659 0.84 GPR35 (0.38) CYP11B2KDM4EMKNK1MKNK2CYP11B1
SCHEMBL8327786 0.81 CYP11B2 (0.37) CYP11B2MKNK1MKNK2CYP11B1KMO
SCHEMBL8327305 0.81 MKNK1 (0.36) CYP11B2MKNK1MKNK2KMOALDH1A1
SCHEMBL8329854 0.80 DHODH (0.36) GAAKDM4EALDH1A1
SCHEMBL8327467 0.80 DHODH (0.36) CYP11B2CYP11B1

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