SCHEMBL6035244

SCHEMBL6035244

O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1F

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.60
CTSL P07711 2/20 0.60
MYC P01106 1/20 0.57
MAX P61244 1/20 0.57
MAPT P10636 5/20 0.57
MAP2K1 Q02750 6/20 0.54
MAP2K2 P36507 2/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C1 Q04828 1/20 0.50
GAA P10253 1/20 0.50
KCNK2 O95069 1/20 0.48
KCNK10 P57789 1/20 0.48
IDO1 P14902 1/20 0.48

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
SCHEMBL27802001 0.85 MAP2K1 (0.58) CTSVCTSLMAPTMAP2K1MAP2K2
SCHEMBL6036349 0.85 CTSV (0.60) CTSVCTSLMYCMAXMAPT
SCHEMBL5678051 0.85 MAPT (0.60) CTSVCTSLMYCMAXMAPT
SCHEMBL6035819 0.85 CTSV (0.60) CTSVCTSLMYCMAXMAPT
SCHEMBL14069980 0.83 CTSV (0.77) CTSVCTSLMYCMAXMAPT
SCHEMBL22720202 0.82 CTSV (0.68) CTSVCTSLMYCMAXMAPT
SCHEMBL5386919 0.81 MAP2K1 (0.47) MAPTMAP2K1MAP2K2KMT2AMEN1
SCHEMBL29413443 0.79 MAP2K1 (0.65) MAP2K1MAP2K2IDO1
SCHEMBL1488894 0.79 MAP2K1 (0.65) MAP2K1MAP2K2IDO1
SCHEMBL16737152 0.79 CTSV (0.63) CTSVCTSLMYCMAXMAPT

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 6 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 disclosed
EP-1140291-B1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER LAMBERT CO (US) 2005-11-23 EP disclosed
EP-1140062-B1 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER LAMBERT CO (US) 2005-04-06 EP disclosed
US-6492363-B2 FOR THERAPY OF CANCER AND OTHER PROLIFERATIVE DISEASES SUCH AS INFLAMMATION, PSORIASIS AND RESTENOSIS, AS WELL AS STROKE, HEART FAILURE, AND IMMUNODEFICIENCY DISORDERS WARNER-LAMBERT COMPANY 2002-12-10 US disclosed
US-6310060-B1 FOR USE AS ANTIPROLIFERATIVE AGENT FOR USE AGAINST CANCER, PSORIASIS, RESTENOSIS, AUTOIMMUNE DISEASE, OR ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2001-10-30 US disclosed
US-6251943-B1 2-(2-AMINO-3-METHOXYPHENYL)4-OXO-4H-(1)BENZOPYRAN A MEK INHIBITOR FOR THE TREATMENT OR PREVENTION OF SEPTIC SHOCK WARNER-LAMBERT COMPANY 2001-06-26 US disclosed