SCHEMBL9872313

SCHEMBL9872313

CC(=O)Oc1c(-n2nc3ccccc3n2)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MAPT P10636 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IGF2BP2 Q9Y6M1 1/20 0.33
BACE1 P56817 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 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
Naphthalene SCHEMBL9872543 0.96 RAB9A (0.47) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL9870023 0.90 NPC1 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL5417312 0.88 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL9871694 0.87 ALDH1A1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL9870748 0.86 VCAM1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL28022693 0.85 NPC1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL10950078 0.83 RAB9A (0.46) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL2230003 0.83 NPC1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL3537498 0.83 HTT (0.40) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL10593219 0.81 VCAM1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5030731-A Substituted benzotriazoles; storage stability; lacquers CIBA-GEIGY CORPORATION (US) 1991-07-09 US disclosed
EP-0180548-B1 COATINGS STABILIZED AGAINST THE ACTION OF LIGHT CIBA-GEIGY AG (CH) 1989-06-28 EP disclosed
US-4775707-A BLOCKED BENZOTRIAZOLES CIBA-GEIGY CORPORATION (US) 1988-10-04 US disclosed
EP-0180548-A2 Coatings stabilized against the action of light CIBA-GEIGY AG (CH) 1986-05-07 EP disclosed