SCHEMBL16401580

SCHEMBL16401580

NCc1nn[nH]c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NOTUM Q6P988 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PIK3CD O00329 2/20 0.37
▸ PIK3CA P42336 2/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ PIK3CG P48736 2/20 0.37

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
SCHEMBL11015928 0.81 DHFR (0.39) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL16050773 0.79 NR1H2 (0.42) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL16401560 0.78 TDP1 (0.38) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL701770 0.78 GRM5 (0.37) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL11742762 0.77 LMNA (0.45) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL7544327 0.77 HPGD (0.36) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL31518204 0.77 KDM4E (0.38) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL4679896 0.75 KDM4E (0.37) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL702351 0.75 HSD11B1 (0.43) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL28147084 0.74 TAAR1 (0.53) DPP4KDM4ENPC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684656-A Tujia bark acetic acid derivative and preparation method thereof 延边大学 2024-09-24 — — CN claimed
CN-118684656-A Tujia bark acetic acid derivative and preparation method thereof 延边大学 2024-09-24 — — CN disclosed
WO-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 — — WO disclosed
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