SCHEMBL23033324

SCHEMBL23033324

CN(N)/N=C(\N)C(c1ccccc1)N1CCN(C(=O)c2cc(-c3nc4cc(N)ccc4o3)ccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 1/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23033477 0.93 LMNA (0.38) PIK3CBRAB9AMEN1KMT2ANPC1
SCHEMBL23033321 0.88 ALDH1A1 (0.39) RAB9ANPC1RXFP1TP53SMN1; SMN2
SCHEMBL23033956 0.85 KDM4E (0.37) RAB9ANPC1RXFP1TP53SMN1; SMN2
SCHEMBL23033326 0.84 PTGS2 (0.36) RAB9ANPC1RXFP1TP53SMN1; SMN2
SCHEMBL23033647 0.82 MAPT (0.41) RAB9ANPC1CASP3RXFP1TP53
SCHEMBL23033680 0.81 NR2E1 (0.33) RAB9AMEN1KMT2ANPC1TP53
SCHEMBL23012287 0.78 NR2E1 (0.41) PIK3CBRAB9AMEN1KMT2ANPC1
SCHEMBL23033330 0.78 LMNA (0.40) PIK3CBRAB9AMEN1KMT2ANPC1
SCHEMBL23034044 0.78 ALDH1A1 (0.46) RAB9ANPC1CASP3RXFP1TP53
SCHEMBL23033970 0.78 PTGS2 (0.41) RAB9ANPC1RXFP1TP53SMN1; SMN2

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
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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