SCHEMBL28713892

SCHEMBL28713892

O=C(O)c1cc(-c2nc3cc(NC(=O)C4(F)CC4)ccc3o2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.49
▸ KDM4E B2RXH2 11/20 0.49
▸ MAPT P10636 5/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ HSD17B10 Q99714 8/20 0.48
▸ PPARG P37231 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ NCOA2 Q15596 1/20 0.48
▸ NCOA1 Q15788 1/20 0.48
▸ NCOA3 Q9Y6Q9 1/20 0.48
▸ SMN1; SMN2 Q16637 9/20 0.48
▸ POLB P06746 7/20 0.48
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ HPGD P15428 8/20 0.47
▸ NR2E3 Q9Y5X4 2/20 0.47
▸ NCOR2 Q9Y618 2/20 0.47

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
SCHEMBL29479699 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL28714614 0.89 MAPT (0.52) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL29479688 0.89 MAPT (0.52) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL23033694 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL29479597 0.83 NPC1 (0.70) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL23012175 0.83 NPC1 (0.70) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL23033451 0.81 NPC1 (0.59) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL23012294 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL30850818 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL23033530 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTNPSR1RXFP1

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-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
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