SCHEMBL528779

SCHEMBL528779

O=C(c1ncccc1Br)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.50
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 7/20 0.46
ALDH1A1 P00352 5/20 0.45
RXFP1 Q9HBX9 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL15918086 0.86 PIK3CD (0.46) HCRTR1HCRTR2HPGDALDH1A1L3MBTL1
SCHEMBL9193063 0.85 SPR (0.67) SPRMEN1KMT2AHPGDALDH1A1
SCHEMBL2140056 0.83 SPR (0.65) SPRHPGDALDH1A1LMNAL3MBTL1
SCHEMBL11204339 0.80 HTT (0.50) SPRMEN1KMT2AHPGDALDH1A1
SCHEMBL7455826 0.80 PIM1 (0.52) SPRMEN1KMT2AHPGDALDH1A1
SCHEMBL7522157 0.79 PIM1 (0.54) SPRMEN1KMT2AHPGDALDH1A1
SCHEMBL7455823 0.78 PARP1 (0.45) SPRMEN1KMT2AHPGDALDH1A1
SCHEMBL7452732 0.77 PIM1 (0.49) SPRKMT2AHPGDALDH1A1LMNA
SCHEMBL7522153 0.76 NPC1 (0.46) SPRMEN1KMT2AHPGDALDH1A1
SCHEMBL7452728 0.74 PARP1 (0.45) SPRMEN1KMT2AALDH1A1NPSR1

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
EP-2598481-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-05 EP disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO disclosed