SCHEMBL30901862

SCHEMBL30901862

OB(O)Oc1cccc2nc3ccccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
GAA P10253 3/20 0.50
KMT2A Q03164 3/20 0.50
GLA P06280 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
PTBP1 P26599 1/20 0.50
RCE1 Q9Y256 1/20 0.50
MAPT P10636 3/20 0.45
ACHE P22303 1/20 0.45
HTT P42858 2/20 0.40
NQO2 P16083 4/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
TLR8 Q9NR97 1/20 0.37
STAT3 P40763 2/20 0.36

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
SCHEMBL27818979 1.00 ALDH1A1 (0.50) ALDH1A1HPGDGAAKMT2AGLA
SCHEMBL5192732 0.80 KMT2A (0.58) ALDH1A1HPGDGAAKMT2AGLA
SCHEMBL4861556 0.79 ALDH1A1 (0.42) ALDH1A1HPGDGAAKMT2AGLA
SCHEMBL29634612 0.79 ALDH1A1 (0.42) ALDH1A1HPGDGAAKMT2AGLA
SCHEMBL27729469 0.78 ALDH1A1 (0.47) ALDH1A1HPGDGAAKMT2AGLA
SCHEMBL8643078 0.78 MAPT (0.50) ALDH1A1HPGDGAAKMT2AGLA
SCHEMBL240664 0.77 NQO2 (0.57) ALDH1A1HPGDGAAKMT2AGLA
Fluoride SCHEMBL27490468 0.77 ALDH1A1 (0.41) ALDH1A1HPGDGAAKMT2AGLA
SCHEMBL28700593 0.77 ALDH1A1 (0.41) ALDH1A1HPGDGAAKMT2AGLA
SCHEMBL9644825 0.76 KMT2A (0.55) ALDH1A1HPGDGAAKMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117681517-A Flame-retardant composite non-woven fabric and preparation method thereof 扬州丽铂环保材料有限公司 2024-03-12 CN claimed
CN-118994891-A Carbon fiber reinforced polyurethane rubber synchronous belt and preparation method thereof 宁波伏龙同步带有限公司 2024-11-22 CN disclosed
CN-118725813-A Low-temperature-resistant label adhesive and preparation method thereof 江西塔益莱高分子材料有限公司 2024-10-01 CN disclosed
CN-117681517-A Flame-retardant composite non-woven fabric and preparation method thereof 扬州丽铂环保材料有限公司 2024-03-12 CN disclosed