SCHEMBL29059162

SCHEMBL29059162

COC(=O)c1cnoc1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A3 Q01959 3/20 0.46
SLC6A4 P31645 2/20 0.46
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.39
PDK2 Q15119 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CFTR P13569 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
SCHEMBL3170947 0.84 CSF1R (0.43) RAB9AKMT2ANPC1HSD17B10SLC6A3
SCHEMBL28123498 0.83 SLC6A4 (0.46) RAB9AKMT2ANPC1HPGDHSD17B10
SCHEMBL3171621 0.82 NPC1 (0.52) RAB9AKMT2ANPC1HPGDSMN1; SMN2
SCHEMBL30395912 0.82 NPC1 (0.52) RAB9AKMT2ANPC1HPGDSMN1; SMN2
SCHEMBL29058651 0.80 NR1I2 (0.42) KMT2ASLC6A3SLC6A4ALDH1A1KDM4E
SCHEMBL13527916 0.79 PTGS1 (0.54) RAB9AKMT2AHPGDHSD17B10SMN1; SMN2
SCHEMBL5774708 0.77 SLC6A3 (0.51) RAB9ANPC1HPGDHSD17B10SMN1; SMN2
SCHEMBL30876354 0.75 SLC6A3 (0.65) RAB9AKMT2ANPC1HPGDHSD17B10
SCHEMBL27324419 0.75 SLC6A3 (0.65) RAB9AKMT2ANPC1HPGDHSD17B10
SCHEMBL4368062 0.72 ALPL (0.49) HPGDSLC6A3SLC6A4ALDH1A1KDM4E

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-116236478-A Application of aromatic heterocyclic formamide compound 浙江大学 2023-06-09 CN disclosed