SCHEMBL7787202

SCHEMBL7787202

Cc1cc(Br)ccc1Nc1c(C(=O)O)ccc(F)c1F.O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 9/20 0.51
MAP2K2 P36507 6/20 0.51
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
LMNA P02545 1/20 0.40
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
IDO1 P14902 1/20 0.38
CDK2 P24941 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
PIM1 P11309 1/20 0.37
CAMK2B Q13554 1/20 0.37

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
SCHEMBL7787206 0.90 MAP2K1 (0.41) MAP2K1MAP2K2MEN1KMT2ALMNA
SCHEMBL7943544 0.84 MAP2K1 (0.43) MAP2K1MAP2K2KMT2AAKR1C2AKR1C1
SCHEMBL6035819 0.81 CTSV (0.60) MAPTMEN1KMT2AAKR1C2AKR1C1
SCHEMBL6035670 0.80 MAP2K1 (0.59) MAP2K1MAP2K2MAPTMEN1KMT2A
SCHEMBL5678051 0.79 MAPT (0.60) MAPTMEN1KMT2AAKR1C2AKR1C1
SCHEMBL4851710 0.78 MAP2K1 (0.78) MAP2K1MAP2K2MEN1KMT2AIDO1
SCHEMBL29425477 0.78 MAP2K1 (0.78) MAP2K1MAP2K2MEN1KMT2AIDO1
SCHEMBL7784767 0.74 IDO1 (0.51) MAPTMEN1KMT2AAKR1C2AKR1C1
SCHEMBL6035244 0.74 CTSV (0.60) MAP2K1MAP2K2MAPTMEN1KMT2A
SCHEMBL6036299 0.73 IDO1 (0.56) MAPTMEN1KMT2AAKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140062-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed