SCHEMBL7943544

SCHEMBL7943544

Cc1cc(Br)ccc1Nc1c(C(=O)O)ccc(F)c1F.Cc1cc(Br)ccc1Nc1cc(F)ccc1C(=O)O.Cc1cc(I)ccc1Nc1cc([N+](=O)[O-])ccc1C(=O)O.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NCCO.O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.43
MAP2K2 P36507 5/20 0.43
KMT2A Q03164 1/20 0.34
CLCN2 P51788 1/20 0.33
MYC P01106 1/20 0.33
MAX P61244 1/20 0.33
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
PIM1 P11309 1/20 0.32
CAMK2B Q13554 1/20 0.32
CDK2 P24941 3/20 0.32

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
SCHEMBL7800333 0.89 MAP2K1 (0.35) MAP2K1MAP2K2
SCHEMBL7787202 0.84 MAP2K1 (0.51) MAP2K1MAP2K2KMT2AMYCMAX
SCHEMBL7787206 0.76 MAP2K1 (0.41) MAP2K1MAP2K2KMT2APIM1CAMK2B
SCHEMBL7800490 0.74 MAP2K1 (0.50) MAP2K1MAP2K2KMT2A
SCHEMBL7784767 0.74 IDO1 (0.51) KMT2AMYCMAXAKR1C2AKR1C1
SCHEMBL6036200 0.74 KMT2A (0.48) MAP2K1MAP2K2KMT2AMYCMAX
SCHEMBL7800477 0.72 MYC (0.46) KMT2AMYCMAXAKR1C2
SCHEMBL7800494 0.72 MAP2K1 (0.50) MAP2K1MAP2K2KMT2APIM1CAMK2B
SCHEMBL6035286 0.72 MAP2K1 (0.64) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL6036443 0.72 MAP2K1 (0.81) MAP2K1MAP2K2KMT2APIM1CAMK2B

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
EP-1140291-A1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER-LAMBERT COMPANY LLC (US) 2001-10-10 EP disclosed
WO-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 WO disclosed
WO-2000037141-A1 COMBINATION CHEMOTHERAPY WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed