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SCHEMBL7938698

SCHEMBL7938698

Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NC1CCCCC1.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NOCc1ccccc1.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NC1CCCCC1.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NCCO.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NC1CCCCC1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NOCc1ccccc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1.Cc1cccc(CNC(=O)c2cc(Br)ccc2Nc2ccc(I)cc2C)c1.Cc1cccc(CNC(=O)c2cc(Cl)ccc2Nc2ccc(I)cc2C)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ AKR1C3 P42330 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ AKR1B1 P15121 1/20 0.32
▸ MT-CO2 P00403 2/20 0.32
▸ TOP1 P11387 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CNR1 P21554 2/20 0.31
▸ FAAH O00519 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SGMS2 Q8NHU3 1/20 0.31

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
SCHEMBL7784773 0.97 MAPT (0.36) KMT2AMAPTTHRBAKR1C3SMN1; SMN2
SCHEMBL7803258 0.94 MAPT (0.39) KMT2AMAPTTHRBAKR1C3SMN1; SMN2
SCHEMBL7941506 0.87 MEN1 (0.38) KMT2AMAPTAKR1C3PTGS2MEN1
SCHEMBL7784763 0.86 MT-CO2 (0.42) MAPTMT-CO2TOP1CNR1FAAH
SCHEMBL7912441 0.84 MAPT (0.40) KMT2AMAPTTHRBAKR1C3SMN1; SMN2
SCHEMBL7802471 0.83 NPC1 (0.41) KMT2AAKR1C3PTGS2MT-CO2TOP1
SCHEMBL7800347 0.83 MAPT (0.40) KMT2AMAPTTHRBAKR1C3SMN1; SMN2
SCHEMBL7803243 0.81 MT-CO2 (0.36) KMT2AAKR1C3SMN1; SMN2MT-CO2TOP1
SCHEMBL7787200 0.79 PTGS2 (0.31) AKR1C3PTGS2
SCHEMBL7794482 0.79 CA2 (0.38) KMT2AMAPTAKR1C3SMN1; SMN2MT-CO2

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