SCHEMBL28606647

SCHEMBL28606647

Nc1nccc(Cc2ccccc2)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42
▸ FOLH1 Q04609 1/20 0.40
▸ KDM5A P29375 2/20 0.40
▸ KDM4C Q9H3R0 2/20 0.40
▸ KDM5B Q9UGL1 2/20 0.40
▸ LDHA P00338 1/20 0.40
▸ LDHB P07195 1/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ PLA2G10 O15496 1/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ TSHR P16473 1/20 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
SCHEMBL28790249 0.89 PLA2G10 (0.45) ALDH1A1MAPTNAPRTKDM5AKDM4C
SCHEMBL28297870 0.82 PTPN1 (0.41) FOLH1KDM5AKDM4CKDM5BLDHA
SCHEMBL10718190 0.80 NOS2 (0.43) ALDH1A1KMT2ANAPRT
SCHEMBL7499087 0.78 LTA4H (0.43) LTA4HMAPK14BCL2BCL2L1
SCHEMBL4976694 0.76 CYP17A1 (0.46) LMNAMAPTTSHR
SCHEMBL28295740 0.76 PLA2G10 (0.45) ALDH1A1MAPTPLA2G10PLA2G2ABCL2
SCHEMBL11549062 0.76 MEN1 (0.46) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL11549646 0.75 MEN1 (0.45) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL19197792 0.74 NAPRT (0.50) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL10749786 0.74 SMN1; SMN2 (0.40) ALDH1A1LMNAGAAMAPTLDHA

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-108473431-B Method for producing benzyl 2-aminonicotinate derivative 阿格罗-金正株式会社 2021-08-10 — — CN claimed
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