SCHEMBL31411708

SCHEMBL31411708

O=C(Nc1c[nH]c2ccc(F)cc12)c1cc2c(s1)SCC(=O)N2Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
POLB P06746 6/20 0.38
MAPT P10636 5/20 0.38
STING1 Q86WV6 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
F2 P00734 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL31411670 0.90 MAPT (0.43) ALDH1A1POLBMAPTSTING1RAB9A
SCHEMBL31411775 0.86 TP53 (0.33) ALDH1A1MAPTKMT2ATP53LMNA
SCHEMBL31411682 0.81 TACR1 (0.35) MAPTKMT2ATP53KDM4E
SCHEMBL31411822 0.78 SIRT2 (0.39) ALDH1A1POLBMAPTSTING1KMT2A
SCHEMBL31411573 0.77 CFTR (0.34) POLBMAPTSTING1
SCHEMBL31411701 0.77 SMN1; SMN2 (0.38) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL31411564 0.75 POLB (0.47) ALDH1A1POLBMAPTSTING1TDP1
SCHEMBL31411733 0.74 MAPT (0.53) ALDH1A1POLBMAPTSTING1TDP1
SCHEMBL31411828 0.74 MAPT (0.59) ALDH1A1POLBMAPTSTING1TP53
SCHEMBL31411715 0.74 ALDH1A1 (0.52) ALDH1A1POLBMAPTTDP1MEN1

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-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed