SCHEMBL17856928

SCHEMBL17856928

O=c1oc2ccccc2cc1-c1cn(CCF)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.54
▸ ALDH1A1 P00352 9/20 0.53
▸ RAB9A P51151 9/20 0.53
▸ NPC1 O15118 8/20 0.53
▸ MAPT P10636 5/20 0.53
▸ PKM P14618 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ KDM4E B2RXH2 7/20 0.50
▸ TP53 P04637 6/20 0.50
▸ HPGD P15428 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49

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
SCHEMBL20435495 0.84 SRC (0.51) SRCALDH1A1RAB9ANPC1MAPT
SCHEMBL20435500 0.84 SRC (0.51) SRCALDH1A1RAB9ANPC1MAPT
SCHEMBL20435496 0.84 SRC (0.51) SRCALDH1A1RAB9ANPC1MAPT
SCHEMBL20435497 0.83 SRC (0.57) SRCALDH1A1RAB9ANPC1MAPT
SCHEMBL11711313 0.78 RAB9A (0.55) SRCALDH1A1RAB9ANPC1MAPT
SCHEMBL11499674 0.76 ALDH1A1 (0.57) SRCALDH1A1RAB9ANPC1MAPT
SCHEMBL11712359 0.75 RAB9A (0.52) SRCALDH1A1RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL11712212 0.74 RAB9A (0.51) SRCALDH1A1RAB9ANPC1MAPT
SCHEMBL20435498 0.71 RAB9A (0.48) SRCALDH1A1RAB9ANPC1MAPT
SCHEMBL11499105 0.71 ALDH1A1 (0.47) SRCALDH1A1RAB9ANPC1MAPT

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-2016097339-A1 LABELLED COUMARIN DERIVATIVES GE HEALTHCARE LIMITED (GB) 2016-06-23 — — WO disclosed
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