SCHEMBL31154077

SCHEMBL31154077

Cc1ccc2oc(-c3ccc(N)cc3)nc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.82
NPC1 O15118 14/20 0.82
KDM4E B2RXH2 10/20 0.82
ALDH1A1 P00352 10/20 0.82
SMN1; SMN2 Q16637 9/20 0.82
MAPT P10636 8/20 0.82
HSD17B10 Q99714 6/20 0.82
TP53 P04637 5/20 0.82
NFKB1 P19838 5/20 0.82
NFKB2 Q00653 5/20 0.82
RELA Q04206 5/20 0.82
L3MBTL1 Q9Y468 2/20 0.82
HPGD P15428 8/20 0.81
GFER P55789 2/20 0.76
RXFP1 Q9HBX9 2/20 0.76
CASP3 P42574 3/20 0.71
SENP8 Q96LD8 2/20 0.71
SENP7 Q9BQF6 2/20 0.71
SENP6 Q9GZR1 2/20 0.71
POLB P06746 1/20 0.71

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
SCHEMBL474369 1.00 RAB9A (0.82) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL14947173 0.92 ALDH1A1 (0.96) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2245029 0.90 RAB9A (1.00) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3288386 0.90 ALDH1A1 (1.00) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15047797 0.90 ALDH1A1 (0.93) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2247430 0.87 NPC1 (0.77) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5654856 0.86 RAB9A (0.86) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL29603993 0.86 RAB9A (0.86) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL29404722 0.86 RAB9A (1.00) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1852701 0.86 RAB9A (1.00) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 WO disclosed