SCHEMBL7912441

SCHEMBL7912441

CCCCCNC(=O)c1cc(I)ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NC1CCCCC1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NOCc1ccccc1.Cc1cccc(CNC(=O)c2cc(I)ccc2Nc2ccc(I)cc2C)c1.Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Nc2ccc(I)cc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.40
AKR1C3 P42330 2/20 0.39
TBXA2R P21731 7/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD3 P35462 1/20 0.38
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 1/20 0.36
SGMS2 Q8NHU3 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7800347 0.91 MAPT (0.40) MAPTKMT2ATHRBAKR1C3TP53
SCHEMBL7803258 0.88 MAPT (0.39) MAPTKMT2ATHRBAKR1C3TP53
SCHEMBL7784773 0.85 MAPT (0.36) MAPTKMT2ATHRBAKR1C3TP53
SCHEMBL7938698 0.84 KMT2A (0.35) MAPTKMT2ATHRBAKR1C3TP53
SCHEMBL7787500 0.79 MAPT (0.40) MAPTKMT2ATHRBAKR1C3TP53
SCHEMBL6035985 0.79 MAPT (0.49) MAPTKMT2AAKR1C3ALDH1A1
SCHEMBL6035984 0.79 NPC1 (0.53) MAPTKMT2AAKR1C3SMN1; SMN2PTGS2
SCHEMBL7932216 0.77 AKR1C3 (0.31) AKR1C3
SCHEMBL7743790 0.76 TBXA2R (0.48) MAPTKMT2ATBXA2RSLC6A2SLC6A4
SCHEMBL6036004 0.76 ALDH1A1 (0.54) MAPTKMT2ATHRBSMN1; SMN2ALDH1A1

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-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed