SCHEMBL9603768

SCHEMBL9603768

C=CCc1cc(Cc2cc(CC=C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
XDH P47989 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
PKM P14618 3/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
KDM4E B2RXH2 3/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
HPGD P15428 2/20 0.33
ALDH2 P05091 1/20 0.33
GAA P10253 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL712510 0.93 NPC1 (0.43) NPC1RAB9ALMNAPOLBTNKS
SCHEMBL9323446 0.86 NPC1 (0.38) NPC1RAB9ALMNAPOLBTNKS
SCHEMBL7698243 0.86 TNKS (0.46) NPC1RAB9ALMNAPOLBTNKS
SCHEMBL8995885 0.85 PTPN1 (0.33) NPC1RAB9ALMNAPOLBMEN1
SCHEMBL28234016 0.84 NPC1 (0.40) NPC1RAB9ALMNAPOLBMEN1
SCHEMBL75918 0.83 NPC1 (0.46) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL342550 0.81 KDM4E (0.46) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL30112936 0.81 KDM4E (0.46) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL2728270 0.81 TNKS (0.50) NPC1RAB9ALMNATNKSMEN1
SCHEMBL11035864 0.80 NPC1 (0.36) NPC1RAB9ALMNAPOLBMEN1

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-5237071-A Process for preparing 2,2'-methylene-bis(6-(2H-benzotriazol-2-yl)-4-hydrocarbyl phenols) FAIRMOUNT CHEMICAL COMPANY, INC. (US) 1993-08-17 US disclosed