SCHEMBL11499105

SCHEMBL11499105

O=c1oc2ccccc2cc1-c1cn(-c2cc[nH]n2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.47
▸ RAB9A P51151 10/20 0.47
▸ NPC1 O15118 9/20 0.47
▸ MAPT P10636 6/20 0.47
▸ PKM P14618 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GPR35 Q9HC97 1/20 0.47
▸ KDM4E B2RXH2 9/20 0.45
▸ HPGD P15428 7/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ TP53 P04637 5/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ TSHR P16473 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NFKB1 P19838 1/20 0.44

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
SCHEMBL11499674 0.81 ALDH1A1 (0.57) ALDH1A1RAB9ANPC1MAPTPKM
SCHEMBL5921545 0.79 GPR35 (0.56) ALDH1A1RAB9ANPC1MAPTPKM
SCHEMBL11711313 0.75 RAB9A (0.55) ALDH1A1RAB9ANPC1MAPTPKM
SCHEMBL20435497 0.73 SRC (0.57) ALDH1A1RAB9ANPC1MAPTPKM
SCHEMBL11712359 0.72 RAB9A (0.52) ALDH1A1RAB9ANPC1MAPTPKM
Hydrochloric Acid SCHEMBL11712212 0.71 RAB9A (0.51) ALDH1A1RAB9ANPC1MAPTPKM
SCHEMBL17856928 0.71 SRC (0.54) ALDH1A1RAB9ANPC1MAPTPKM
SCHEMBL3098964 0.70 GPR35 (0.58) ALDH1A1RAB9ANPC1MAPTPKM
SCHEMBL13315785 0.70 RAB9A (0.44) ALDH1A1RAB9ANPC1MAPTPKM
SCHEMBL20435499 0.70 MAOB (0.51) ALDH1A1RAB9ANPC1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4229579-A OPTICAL BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DE) 1980-10-21 — — US disclosed
US-4144243-A OPTICAL BRIGHTENERS FOR TEXTILES AND LACQUEARS BAYER AKTIENGESELLSCHAFT (DE) 1979-03-13 — — US disclosed
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