SCHEMBL31575855

SCHEMBL31575855

N=c1cccc(-c2nc3ccccc3o2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.46
ALDH1A1 P00352 9/20 0.46
HPGD P15428 8/20 0.46
RAB9A P51151 7/20 0.46
KDM4E B2RXH2 7/20 0.46
TP53 P04637 6/20 0.46
HSD17B10 Q99714 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HCRTR1 O43613 2/20 0.46
PKM P14618 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.45
ALOX5 P09917 1/20 0.45
NFKB1 P19838 1/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL824375 0.76 NPC1 (0.69) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL29531707 0.76 NPC1 (0.69) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL9535172 0.75 NPC1 (0.50) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL4806620 0.71 NPC1 (0.69) NPC1ALDH1A1HPGDRAB9AKDM4E
2-Phenylbenzo[D]Oxazole SCHEMBL31275269 0.70 NPC1 (0.70) NPC1ALDH1A1HPGDRAB9AKDM4E
Anthracene SCHEMBL29003509 0.69 NPC1 (0.66) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL29504749 0.69 TOP2A (0.62) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL171055 0.69 TOP2A (0.62) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL21674121 0.69 NPC1 (0.63) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL31170 0.69 NPC1 (0.81) NPC1ALDH1A1HPGDRAB9AKDM4E

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
CN-120020141-A Iron-based complex, ethylene oligomerization catalyst composition and preparation method thereof 中国石油天然气股份有限公司 2025-05-20 CN disclosed
CN-120020107-A Preparation method of high-carbon-number alpha-olefin 中国石油天然气股份有限公司 2025-05-20 CN disclosed