SCHEMBL6768296

SCHEMBL6768296

Clc1ccc2oc3ccc(NCc4cccc5ccccc45)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
EGFR P00533 2/20 0.44
IGF1R P08069 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
AHR P35869 2/20 0.41
PLA2G1B P04054 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
IDH1 O75874 2/20 0.40
CA1 P00915 1/20 0.39

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
SCHEMBL6481920 0.89 EGFR (0.50) MAOBEGFRIGF1RFLT4KDR
SCHEMBL6528320 0.86 EGFR (0.44) MAOBEGFRIGF1RFLT4KDR
SCHEMBL6775761 0.85 EGFR (0.44) EGFRIGF1RFLT4KDRMEN1
SCHEMBL6498436 0.83 UTS2R (0.45) MAOBEGFRAHRPLA2G1BCYP1A2
SCHEMBL6495210 0.83 MEN1 (0.62) MAOBAHRPLA2G1BCYP1A2CYP3A4
SCHEMBL6498257 0.83 PPARG (0.51) MAOBEGFRAHRPLA2G1BCYP1A2
SCHEMBL6770100 0.81 KMT2A (0.49) MAOBAHRPLA2G1BCYP1A2CYP3A4
SCHEMBL6483043 0.80 CYP2C9 (0.48) MAOBAHRPLA2G1BCYP1A2CYP3A4
SCHEMBL6483858 0.80 IDH1 (0.40) MAOBEGFRAHRPLA2G1BCYP1A2
SCHEMBL6495487 0.80 MAOB (0.49) MAOBEGFRAHRMEN1KMT2A

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
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed