SCHEMBL7787393

SCHEMBL7787393

CCN(CC)CCCNC(=O)c1cc(F)ccc1Nc1ccc(I)cc1C.CCN(CC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCCN1CCOCC1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MAOB P27338 1/20 0.42
LMNA P02545 6/20 0.42
MAPT P10636 5/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
EGFR P00533 2/20 0.37
BCL3 P20749 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 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
SCHEMBL7787515 0.85 LMNA (0.44) SMN1; SMN2MAOBLMNAMAPTKMT2A
SCHEMBL7785349 0.85 LMNA (0.44) LMNAMAPTKMT2ATSHRKDM4E
SCHEMBL7787383 0.84 MAP2K1 (0.35) SMN1; SMN2MAOBLMNAMAPTKDM4E
SCHEMBL7780236 0.83 MAPT (0.35) SMN1; SMN2MAOBLMNAMAPT
SCHEMBL6036040 0.81 MAPT (0.56) SMN1; SMN2MAOBLMNAMAPTKMT2A
SCHEMBL6035383 0.80 LMNA (0.48) SMN1; SMN2LMNAMAPTKMT2AALDH1A1
SCHEMBL8169156 0.79 KMT2A (0.56) LMNAMAPTKMT2ATSHRKDM4E
SCHEMBL6035841 0.79 PRMT5 (0.46) SMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL6035633 0.79 LMNA (0.49) SMN1; SMN2LMNAMAPTKMT2AALDH1A1
SCHEMBL6035840 0.78 LMNA (0.48) LMNAKMT2ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143957-A3 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-02-27 EP disclosed
EP-1143957-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION 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
EP-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 WO disclosed
WO-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 WO disclosed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed