SCHEMBL11711313

SCHEMBL11711313

Nn1cc(-c2cc3ccccc3oc2=O)nn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.55
▸ NPC1 O15118 12/20 0.55
▸ ALDH1A1 P00352 11/20 0.55
▸ MAPT P10636 8/20 0.55
▸ PKM P14618 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ KDM4E B2RXH2 9/20 0.52
▸ SMN1; SMN2 Q16637 8/20 0.52
▸ HPGD P15428 6/20 0.52
▸ HSD17B10 Q99714 5/20 0.52
▸ TP53 P04637 5/20 0.52
▸ GAA P10253 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MAOB P27338 1/20 0.51
▸ CASP1 P29466 3/20 0.51
▸ CASP7 P55210 3/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ POLB P06746 2/20 0.51

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
SCHEMBL11712359 0.83 RAB9A (0.52) RAB9ANPC1ALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL11712212 0.82 RAB9A (0.51) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL11499674 0.81 ALDH1A1 (0.57) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL17856928 0.78 SRC (0.54) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL20435497 0.78 SRC (0.57) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL20435498 0.76 RAB9A (0.48) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL11499105 0.75 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL29517170 0.75 RAB9A (0.78) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL20435495 0.74 SRC (0.51) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL20435500 0.74 SRC (0.51) RAB9ANPC1ALDH1A1MAPTPKM

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
US-4005098-A BRIGHTENING AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 — — US disclosed
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