SCHEMBL28533907

SCHEMBL28533907

COCCc1ncncn1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
USP2 O75604 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL28117006 0.86 TLR7 (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19USP2
SCHEMBL7533053 0.78 TSHR (0.37) ALDH1A1CYP1A2CYP2C19CYP2C9MAPK1
SCHEMBL29012828 0.76
SCHEMBL6937537 0.74 LMNA (0.33) ALDH1A1CYP1A2CYP3A4CYP2C19USP2
SCHEMBL2373255 0.74 HCAR2 (0.30) HCAR2
SCHEMBL25667981 0.73 APLNR (0.46) HCAR2
SCHEMBL25669981 0.73 TLR7 (0.32)
SCHEMBL8766240 0.72
SCHEMBL17070881 0.71 KDM4E (0.33) HCAR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL28498076 0.71 MAPK1 (0.42) ALDH1A1CYP3A4USP2MAPK1LMNA

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-112322167-A Intumescent steel structure fireproof coating 清远市普塞呋磷化学有限公司 2021-02-05 CN claimed
CN-112322167-A Intumescent steel structure fireproof coating 清远市普塞呋磷化学有限公司 2021-02-05 CN disclosed