SCHEMBL7953580

SCHEMBL7953580

N#Cc1cc(-c2ccncc2)n2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.37
CYP11B2 P19099 5/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ABCC1 P33527 4/20 0.36
ABCB1 P08183 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
CUL4A Q13619 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABCG2 Q9UNQ0 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL2157932 0.84 ALDH1A1 (0.40) CYP11B1CYP11B2ALDH1A1KDM4EHSD17B10
SCHEMBL7954901 0.80 CYP11B2 (0.40) CYP11B1CYP11B2ALDH1A1KDM4EHSD17B10
SCHEMBL2157447 0.79 CYP11B2 (0.43) CYP11B1CYP11B2ALDH1A1KDM4EHSD17B10
SCHEMBL7588929 0.79 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1HPGDLMNA
SCHEMBL12988242 0.75 MAOA (0.46) CYP11B1CYP11B2ALDH1A1HPGDKDM4E
SCHEMBL7592203 0.74 CNR2 (0.37) CYP11B1CYP11B2ALDH1A1KDM4EABCC1
SCHEMBL7590022 0.74 CYP11B2 (0.38) CYP11B1CYP11B2ALDH1A1HPGDABCC1
SCHEMBL7953649 0.74 CYP11B2 (0.44) CYP11B1CYP11B2ALDH1A1ABCC1ABCG2
SCHEMBL7946362 0.72 CDC7 (0.50) CYP11B2MEN1KMT2ACYP2C19
SCHEMBL7953706 0.70 ABCC1 (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed
EP-0833635-A1 NOVEL USE FOR PYRROLE DERIVATIVES Aventis Pharma S.A. (FR) 1998-04-08 EP disclosed
WO-1997000073-A1 NOVEL USE FOR PYRROLE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1997-01-03 WO disclosed