SCHEMBL29633998

SCHEMBL29633998

c1ccc2c(-c3ccc4oc5ccccc5c4c3)onc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.45
▸ MAPT P10636 5/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ AHR P35869 2/20 0.41
▸ IP6K1 Q92551 5/20 0.40
▸ IP6K3 Q96PC2 3/20 0.40
▸ IP6K2 Q9UHH9 3/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL6691319 0.79 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL10478418 0.77 MAPT (0.63) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL15835969 0.77 MAPT (0.63) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL15835950 0.77 MAPT (0.63) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL2039941 0.77 MAPT (0.63) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL24171975 0.75 MAPT (0.61) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL26311700 0.75 MAPT (0.61) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL20706697 0.75 MAPT (0.61) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL15501770 0.74 MAPT (0.55) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL29633947 0.74 GPR3 (0.42) ALDH1A1MAPTMEN1KMT2ANPC1

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
CN-113214178-B 3-aryl substituted anthranilic anhydride derivative and preparation method thereof 广东工业大学 2022-05-13 — — CN disclosed
Send feedback