SCHEMBL9870023

SCHEMBL9870023

CC(=O)Oc1c(C)cc(C(C)(C)C)cc1-n1nc2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.55
RAB9A P51151 9/20 0.55
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
MAPT P10636 7/20 0.43
KDM4E B2RXH2 5/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 3/20 0.39
IGF2BP2 Q9Y6M1 1/20 0.39
THRB P10828 1/20 0.36

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
SCHEMBL9872313 0.90 NPC1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
Naphthalene SCHEMBL9872543 0.87 RAB9A (0.47) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL10950078 0.78 RAB9A (0.46) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL5417312 0.78 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL29813370 0.77 NPC1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL108807 0.77 NPC1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL9871694 0.77 ALDH1A1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL2230003 0.77 NPC1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL9870748 0.76 VCAM1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL9788130 0.75 NPC1 (0.68) 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