SCHEMBL28501031

SCHEMBL28501031

Cc1nc(-c2ccccc2)n(-c2ccccc2)c1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 2/20 0.41
HCAR1 Q9BXC0 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 1/20 0.39
GSK3B P49841 3/20 0.38
PDE7A Q13946 2/20 0.38

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
SCHEMBL3421775 0.77 MEN1 (0.55) AVPR1AMEN1KMT2AESR1ESR2
SCHEMBL27850263 0.75 CYP1A2 (0.40) HTTCYP1A2TSHRALDH1A1ATP4A
SCHEMBL9925491 0.75 AVPR1A (0.49) AVPR1AMEN1KMT2AESR1ESR2
SCHEMBL27850156 0.73 LMNA (0.38) MEN1KMT2ASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL652738 0.72 TSHR (0.58) HTTHPGDTSHRALDH1A1PDE10A
SCHEMBL27850170 0.71 CYP1A2 (0.39) HPGDCYP1A2TSHRALDH1A1ATP4A
SCHEMBL13990012 0.70 ESR1 (0.60) AVPR1AMEN1KMT2AESR1ESR2
SCHEMBL6917978 0.70 PPARG (0.46) HPGDCYP1A2PI4KAPI4K2BPI4K2A
SCHEMBL28857379 0.70 AVPR1A (0.41) AVPR1AMEN1KMT2AESR1ESR2
SCHEMBL28947026 0.69 KDM4E (0.40) HPGDCYP1A2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107636039-B Curing agent for thermosetting epoxy resins and method for producing insulation systems for electronic engineering 亨斯迈先进材料许可(瑞士)有限公司 2020-11-24 CN claimed