SCHEMBL29479777

SCHEMBL29479777

Cc1ccc2oc(-c3ccnc(C(=O)O)c3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 9/20 0.59
▸ KDM4E B2RXH2 9/20 0.59
▸ RAB9A P51151 9/20 0.59
▸ HPGD P15428 8/20 0.59
▸ NPC1 O15118 8/20 0.59
▸ CASP3 P42574 4/20 0.59
▸ SENP7 Q9BQF6 4/20 0.59
▸ SENP6 Q9GZR1 4/20 0.59
▸ SENP8 Q96LD8 3/20 0.59
▸ POLB P06746 2/20 0.59
▸ ALDH1A1 P00352 9/20 0.58
▸ TP53 P04637 8/20 0.58
▸ HSD17B10 Q99714 8/20 0.58
▸ MAPT P10636 6/20 0.53
▸ NFKB1 P19838 3/20 0.53
▸ NFKB2 Q00653 3/20 0.53
▸ RELA Q04206 3/20 0.53
▸ ALOX5 P09917 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAPK1 P28482 2/20 0.51

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
SCHEMBL28711116 1.00 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ERAB9AHPGDNPC1
SCHEMBL23012902 0.85 PIK3CA (0.63) KDM4ERAB9AALDH1A1MAPTRXFP1
SCHEMBL29479649 0.85 PIK3CA (0.63) KDM4ERAB9AALDH1A1MAPTRXFP1
SCHEMBL31165972 0.82 PIK3CB (0.43) SMN1; SMN2KDM4ERAB9AHPGDNPC1
SCHEMBL23012890 0.82 HDAC6 (0.49) SMN1; SMN2KDM4ERAB9AALDH1A1TP53
SCHEMBL23033958 0.82 HDAC6 (0.55) —
SCHEMBL23012175 0.82 NPC1 (0.70) SMN1; SMN2KDM4ERAB9AHPGDNPC1
SCHEMBL29479597 0.82 NPC1 (0.70) SMN1; SMN2KDM4ERAB9AHPGDNPC1
SCHEMBL23033684 0.81 HPSE (0.42) SMN1; SMN2KDM4ERAB9AHPGDNPC1
SCHEMBL29479679 0.81 HPSE (0.42) SMN1; SMN2KDM4ERAB9AHPGDNPC1

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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