SCHEMBL9130752

SCHEMBL9130752

CCNc1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
NFKB1 P19838 1/20 0.61
NPY1R P25929 1/20 0.61
NFKB2 Q00653 1/20 0.61
KMT2A Q03164 1/20 0.61
RELA Q04206 1/20 0.61
MAOB P27338 3/20 0.57
MAPT P10636 1/20 0.55
STAT1 P42224 1/20 0.55
P2RY14 Q15391 1/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALOX5 P09917 1/20 0.50
MAOA P21397 1/20 0.46

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
SCHEMBL9132475 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9130455 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL20208852 0.82 MAOB (0.66) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
Diethylamine SCHEMBL9132168 0.81 MAOB (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12387899 0.80 ALDH1A1 (0.69) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4659168 0.79 MAOB (0.78) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL19683684 0.79 MAOB (0.62) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2056341 0.79 MAOB (0.62) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL20208811 0.78 MAOB (0.60) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL18867376 0.77 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5468470-A Radiation resistance and sunscreen agents 3V INC. (US) 1995-11-21 US claimed
EP-0613893-A1 Benzofuran derivatives and the use thereof as stabilizers against UV radiations 3V SIGMA S.p.A (IT) 1994-09-07 EP claimed
US-5468470-A Radiation resistance and sunscreen agents 3V INC. (US) 1995-11-21 US disclosed
US-5362481-A Useful in cosmetics and dermatology 3V INC. (US) 1994-11-08 US disclosed
EP-0613893-A1 Benzofuran derivatives and the use thereof as stabilizers against UV radiations 3V SIGMA S.p.A (IT) 1994-09-07 EP disclosed