SCHEMBL30039276

SCHEMBL30039276

CN(C)c1ccc(Cc2c(-c3ccc(F)cc3)nc3ccccn23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ TP53 P04637 2/20 0.49
▸ HPGD P15428 1/20 0.46
▸ KCNK3 O14649 6/20 0.46
▸ KCNK9 Q9NPC2 6/20 0.46
▸ GAA P10253 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GABRA1 P14867 3/20 0.46
▸ GABRB2 P47870 3/20 0.46
▸ GABRA5 P31644 1/20 0.43

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
SCHEMBL30039667 0.90 SMN1; SMN2 (0.52) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30038776 0.89 MAPT (0.61) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30039601 0.88 MAPT (0.59) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30040119 0.88 KDM4E (0.67) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30040826 0.88 SMN1; SMN2 (0.48) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30040616 0.86 NPC1 (0.55) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30040080 0.85 RAB9A (0.47) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30040189 0.81 KDM4E (0.51) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL30039938 0.79 KCNK3 (0.51) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30039534 0.78 NR1H4 (0.57) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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-115261896-B Synthesis method of 4' -alkylamino benzyl-3-imidazo [1,2-a ] pyridine derivative 深圳职业技术学院 2024-08-30 — — CN disclosed
CN-115261896-A Synthesis method of 4' -alkylaminobenzyl-3-imidazo [1,2-a ] pyridine derivative 深圳职业技术学院 2022-11-01 — — CN disclosed
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