SCHEMBL992504

SCHEMBL992504

C=C(CBr)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
TSHR P16473 2/20 0.48
CASP1 P29466 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8091206 0.80 POLB (0.49) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL18484513 0.77 GABRA1 (0.50) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL641759 0.76 ALDH1A1 (0.69) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL29859075 0.76 ALDH1A1 (0.69) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL9664110 0.76 MAPK1 (0.44) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL10455909 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL12676532 0.74 MGLL (0.54) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL674136 0.74 TSHR (0.56) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL29444184 0.74 TSHR (0.56) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL9664124 0.73 ALDH1A1 (0.50) ALDH1A1MAPK1HIF1ATSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4223745-A1 DENDRENE AMIDE COMPOUND, BACTERICIDE AND USE THEREOF Jiangsu Flag Chemical Industry Co., Ltd. (CN) 2023-08-09 EP disclosed
EP-2480080-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-08-01 EP disclosed
EP-2348847-A1 AZEPINO [4, 5-B] INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-08-03 EP disclosed
WO-2011038163-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
EP-2274307-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-01-19 EP disclosed
WO-2010051503-A1 AZEPINO [4, 5-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES,INC. (US) 2009-10-01 WO disclosed