SCHEMBL29860079

SCHEMBL29860079

COc1ccc2c(OC)ccc(-c3nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP17A1 P05093 3/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
DHFR P00374 1/20 0.36
MAPT P10636 2/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
ADORA3 P0DMS8 3/20 0.36
NQO1 P15559 1/20 0.36
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL267816 1.00 NPC1 (0.38) NPC1CA12CA1CA2CA7
SCHEMBL6688616 0.85 NQO1 (0.56) NPC1CYP17A1CYP11B1CYP11B2MAPT
SCHEMBL8629869 0.84 ADORA3 (0.48) NPC1CA12CA1CA2CA7
SCHEMBL62367 0.84 IDO1 (0.42) NPC1MAPTNQO1KDM4ESMN1; SMN2
SCHEMBL29350011 0.84 IDO1 (0.42) NPC1MAPTNQO1KDM4ESMN1; SMN2
SCHEMBL19810863 0.83 ABCG2 (0.43) NPC1MAPTCYP1A1CYP1B1KDM4E
SCHEMBL13813773 0.82 ALDH1A1 (0.39) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL989619 0.81 POLB (0.39) NPC1CYP17A1CYP11B1CYP11B2MAPT
SCHEMBL4382055 0.80 CA12 (0.39) NPC1CA12CA1CA2CA7
SCHEMBL3043757 0.80 CYP1A2 (0.41) NPC1CYP17A1CYP11B1CYP11B2CYP3A4

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
WO-2022209858-A1 UV RADIATION SENSING MEMBER AND UV RADIATION SENSING KIT 富士フイルム株式会社 2022-10-06 WO disclosed