SCHEMBL21331856

SCHEMBL21331856

CC(Sc1ccncc1Cc1ccc(F)c2ccccc12)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 10/20 0.48
▸ LMNA P02545 1/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ RXFP1 Q9HBX9 3/20 0.37
▸ PRNP P04156 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK10 P53779 1/20 0.34

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
SCHEMBL28411804 0.91 SLC22A12 (0.47) SLC22A12LMNACYP2C9CYP3A4RXFP1
SCHEMBL21350523 0.89 SLC22A12 (0.48) SLC22A12LMNACYP2C9CYP3A4RXFP1
SCHEMBL21331903 0.89 SLC22A12 (0.48) SLC22A12LMNACYP2C9CYP3A4RXFP1
SCHEMBL21350623 0.88 SLC22A12 (0.43) SLC22A12LMNAPRNPALDH1A1MEN1
SCHEMBL21331811 0.85 SLC22A12 (0.55) SLC22A12LMNACYP2C9CYP3A4RXFP1
SCHEMBL21350620 0.85 SLC22A12 (0.68) SLC22A12
SCHEMBL28890905 0.84 SLC22A12 (0.54) SLC22A12LMNACYP2C9CYP3A4RXFP1
SCHEMBL21350742 0.81 SLC22A12 (0.50) SLC22A12CYP2C9RXFP1PRNPALDH1A1
SCHEMBL21333891 0.81 SLC22A12 (0.72) SLC22A12
SCHEMBL28408868 0.81 SLC22A12 (0.41) SLC22A12LMNACYP2C9CYP3A4RXFP1

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-108440397-B 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof 南方医科大学 2020-06-05 — — CN disclosed
WO-2019169890-A1 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF 南方医科大学 2019-09-12 — — WO disclosed
WO-2019169890-A1 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF 南方医科大学 2019-09-12 — — WO disclosed
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