SCHEMBL11096458

SCHEMBL11096458

c1coc2cc3ncnc3cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 4/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ADORA2A P29274 1/20 0.36
DYRK1A Q13627 3/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
MAPT P10636 4/20 0.35
PKM P14618 3/20 0.35
ALOX15 P16050 3/20 0.35

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
SCHEMBL10752633 0.78 CCNB2 (0.40) TDP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7787699 0.75 DYRK1A (0.44) ALDH1A1KDM4EHSD17B10RAB9ANPC1
SCHEMBL14762862 0.72 HSD17B10 (0.41) TDP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4493170 0.71 ESR1 (0.45) TDP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL31169204 0.69 KDM4E (0.36) TDP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL20773930 0.67 CYP2A6 (0.35) KDM4EHSD17B10DYRK1ANFKB1KMO
SCHEMBL30731377 0.67 DYRK1A (0.30) DYRK1A
SCHEMBL9307675 0.66 ESR1 (0.44) TDP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6652020 0.65 ALDH1A1 (0.56) TDP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30731375 0.65 MAP4K4 (0.34) TDP1ALDH1A1HPGDKDM4EHSD17B10

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
EP-0033612-B1 PYRANO DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND ANTIHYPERTENSIVE COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1984-04-11 EP claimed
WO-2024240268-A1 CEREBELLAR PROTEIN E3 UBIQUITIN LIGASE INHIBITOR AND CHIMERIC COMPOUND TARGETING PROTEIN DEGRADATION 甘李药业股份有限公司 2024-11-28 WO disclosed