SCHEMBL5357577

SCHEMBL5357577

BrCc1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
KCNN4 O15554 2/20 0.34
KCNA3 P22001 2/20 0.34
TSHR P16473 2/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
NR1I2 O75469 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
TRPM2 O94759 1/20 0.30
ABCB11 O95342 1/20 0.30
EGFR P00533 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
NR3C1 P04150 1/20 0.30
ERBB2 P04626 1/20 0.30
TP53 P04637 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
SCHEMBL5357402 0.84 P2RX7 (0.40) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL27087810 0.82 CYP11B1 (0.37) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL28221864 0.82 KCNN4 (0.37) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL5361469 0.82 CYP11B1 (0.37) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL7969475 0.79 CYP4F2 (0.39) CYP11B1CYP11B2KCNN4KCNA3CA2
SCHEMBL28829286 0.79 KCNH2 (0.43) CYP11B1CYP11B2KCNN4KCNA3ALDH1A1
SCHEMBL10893727 0.78 IDO1 (0.37) CYP11B1CYP11B2KCNN4KCNA3
SCHEMBL2194189 0.76 CYP11B1 (0.40) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL9234564 0.74 KMT2A (0.38) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL5363605 0.74 NOTUM (0.34) CYP11B1CYP11B2KCNN4KCNA3TSHR

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
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed