SCHEMBL23033694

SCHEMBL23033694

O=C(O)c1cc(-c2nc3cc(NC(=O)[C@H]4CC4(F)F)ccc3o2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.48
▸ KDM4E B2RXH2 11/20 0.48
▸ SMN1; SMN2 Q16637 9/20 0.48
▸ HPGD P15428 8/20 0.48
▸ NPC1 O15118 8/20 0.48
▸ RAB9A P51151 8/20 0.48
▸ MAPT P10636 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.48
▸ HSD17B10 Q99714 6/20 0.47
▸ PPARG P37231 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ NCOA2 Q15596 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ POLB P06746 5/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ NR2E3 Q9Y5X4 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL23033392 0.90 MAPT (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL29479820 0.90 MAPT (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL23033451 0.86 NPC1 (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL23012294 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL30850818 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL29479791 0.84 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL23012931 0.84 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL29479699 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL28713892 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL23012282 0.83 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
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