SCHEMBL31154259

SCHEMBL31154259

COc1cccc(-c2nc3cc(N)ccc3[nH]2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.68
HPGD P15428 6/20 0.68
RAB9A P51151 6/20 0.68
TP53 P04637 5/20 0.68
POLB P06746 4/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
PKM P14618 3/20 0.68
HTT P42858 2/20 0.68
PRMT1 Q99873 1/20 0.58
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 2/20 0.57
USP2 O75604 1/20 0.57
BLM P54132 1/20 0.57
KDM4E B2RXH2 5/20 0.56
HSD17B10 Q99714 2/20 0.56
AURKA O14965 1/20 0.55
NR1I2 O75469 1/20 0.54

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
SCHEMBL179157 0.89 NPC1 (0.63) NPC1HPGDRAB9ATP53POLB
SCHEMBL31289469 0.87 ALDH1A1 (0.58) NPC1HPGDRAB9ATP53POLB
SCHEMBL12351269 0.85 MEN1 (0.76) NPC1HPGDRAB9ATP53POLB
SCHEMBL31289455 0.85 CHEK2 (0.64) NPC1HPGDRAB9ATP53POLB
SCHEMBL1662751 0.85 NPC1 (0.70) NPC1HPGDRAB9ATP53POLB
SCHEMBL9767334 0.84 ALDH1A1 (0.77) NPC1HPGDRAB9ATP53POLB
SCHEMBL29596534 0.84 ALDH1A1 (0.77) NPC1HPGDRAB9ATP53POLB
SCHEMBL29906364 0.84 ALDH1A1 (0.77) NPC1HPGDRAB9ATP53POLB
SCHEMBL23758270 0.84 AURKA (0.55) NPC1HPGDRAB9ATP53POLB
SCHEMBL31289533 0.83 PRMT1 (0.54) NPC1HPGDRAB9ATP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4733300-A1 NOVEL CHROMENE-BENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF Korea University Research and Business Foundation (KR) 2026-04-29 EP disclosed
WO-2024263007-A1 NOVEL CHROMENE-BENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 고려대학교 산학협력단 2024-12-26 WO disclosed
WO-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 WO disclosed