SCHEMBL3900613

SCHEMBL3900613

CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
MAPT P10636 6/20 0.44
RAB9A P51151 5/20 0.44
ATM Q13315 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CA2 P00918 4/20 0.38
CA1 P00915 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
TYR P14679 1/20 0.37
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.35
MITF O75030 1/20 0.35
KLF5 Q13887 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1276012 0.92 NPC1 (0.42) NPC1MAPTRAB9AATMKDM4E
SCHEMBL29481344 0.92 NPC1 (0.42) NPC1MAPTRAB9AATMKDM4E
SCHEMBL9261254 0.85 NPC1 (0.38) NPC1MAPTRAB9AATMKDM4E
SCHEMBL31419499 0.83 NPC1 (0.43) NPC1MAPTRAB9AATMKDM4E
SCHEMBL2548304 0.83 KDM4E (0.47) NPC1MAPTRAB9AKDM4EMEN1
SCHEMBL9420192 0.83 HDAC6 (0.37) NPC1MAPTRAB9AATMKDM4E
SCHEMBL7109291 0.82 EGFR (0.40) NPC1MAPTRAB9AKDM4EKMT2A
Bumetrizole SCHEMBL10836210 0.82 NPC1 (0.52) NPC1MAPTRAB9AATMKDM4E
Bumetrizole SCHEMBL2398487 0.81 NPC1 (0.53) NPC1MAPTRAB9AATMKDM4E
Bumetrizole SCHEMBL8603228 0.81 NPC1 (0.53) NPC1MAPTRAB9AATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088513-A1 RESIN ADDITIVE COMPOSITION AND RESIN COMPOSITION ADEKA CORPORATION (JP) 2009-04-02 US disclosed
EP-1505086-B1 Method of manufacturing polyelectrolyte SONY CORP (JP) 2009-02-11 EP disclosed
CN-1031341-C Process for preparing benzotriazole derivatives CIBA GEIGY AG (CH) 1996-03-20 CN disclosed
US-4999433-A Process for the preparation of benzotriazole derivatives CIBA-GEIGY CORPORATION (US) 1991-03-12 US disclosed
US-4326061-A ULTRAVIOLET RADIATION, STABILIZERS THE B. F. GOODRICH COMPANY (US) 1982-04-20 US disclosed
US-4233400-A HIGH CONTRAST IMAGE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1980-11-11 US disclosed
US-4169733-A PRETREATMENT WITH NITROGEN HETEROCYCLE SUBSTITUTED WITH MERCAPTO, THIOKETONE OR THIOETHER GROUP OF SILVER HALIDE EMULSION CONTAINING A TETRAZOLIUM COMPOUND KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-10-02 US disclosed
US-4073770-A Substituted decahydroquinolines and their use as ultraviolet light stabilizers THE B. F. GOODRICH COMPANY (US) 1978-02-14 US disclosed