SCHEMBL8169156

SCHEMBL8169156

Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCCCN1CCCCC1.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
BCL3 P20749 5/20 0.53
PDGFRB P09619 2/20 0.48
KIT P10721 2/20 0.48
KDR P35968 2/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6035287 0.93 BCL3 (0.59) KMT2ABCL3PDGFRBKITKDR
SCHEMBL6035311 0.93 KMT2A (0.49) KMT2APDGFRBKITKDRALDH1A1
SCHEMBL6035306 0.91 CYP1A2 (0.48) KMT2ABCL3PDGFRBKITKDR
SCHEMBL6035719 0.87 BCL3 (0.55) KMT2ABCL3ALDH1A1POLB
SCHEMBL6035410 0.87 MKNK2 (0.45) KMT2APDGFRBKITKDR
SCHEMBL7804383 0.86 KMT2A (0.46) KMT2ABCL3PDGFRBKITKDR
SCHEMBL6035353 0.86 MAP2K1 (0.50) KMT2ABCL3PDGFRBKITKDR
SCHEMBL6036039 0.85 CYP1A2 (0.51) KMT2ABCL3PDGFRBKITKDR
SCHEMBL6035676 0.84 CYP1A2 (0.49) KMT2ABCL3PDGFRBKITKDR
SCHEMBL7785349 0.84 LMNA (0.44) KMT2ABCL3PDGFRBKITKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 WO disclosed