SCHEMBL6036030

SCHEMBL6036030

O=C(O)c1cc(Br)ccc1Nc1ccc(Br)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
APEX1 P27695 1/20 0.55
MPO P05164 1/20 0.54
KDM4E B2RXH2 3/20 0.51
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
AKR1C4 P17516 2/20 0.50
AKR1C1 Q04828 2/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
PLA2G1B P04054 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
GLA P06280 1/20 0.50
METAP2 P50579 2/20 0.49
MYC P01106 1/20 0.46
NR4A1 P22736 1/20 0.46

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
SCHEMBL11609447 0.84 FABP4 (0.59) MEN1KMT2AAPEX1MPOKDM4E
SCHEMBL15423725 0.80 ALOX15 (0.46) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL31550899 0.80 ALOX15 (0.46) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL28361711 0.79 APEX1 (0.60) MEN1KMT2AAPEX1MPOKDM4E
SCHEMBL109573 0.79 KDM4E (0.60) MEN1KMT2AAPEX1MPOKDM4E
SCHEMBL22720157 0.79 AKR1C3 (0.62) MEN1KMT2AMPOKDM4EAKR1C3
SCHEMBL1323012 0.78 APEX1 (0.58) MEN1KMT2AAPEX1MPOKDM4E
Hydrochloric Acid SCHEMBL15054390 0.78 APEX1 (0.58) MEN1KMT2AAPEX1MPOKDM4E
Hydrochloric Acid SCHEMBL143713 0.78 APEX1 (0.58) MEN1KMT2AAPEX1MPOKDM4E
SCHEMBL22720190 0.78 CTSV (0.68) MEN1KMT2AAKR1C3AKR1C2AKR1C4

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-0993437-B1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2006-11-08 EP claimed
EP-0993437-B1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2006-11-08 EP disclosed