SCHEMBL28433232

SCHEMBL28433232

C=C(C)Cn1c(C=O)c(Cl)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ TSPO P30536 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 2/20 0.38

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
SCHEMBL28433226 0.83 POLB (0.40) HTTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL28165051 0.80 ALDH1A1 (0.51) HTTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL28441990 0.80 ALDH1A1 (0.46) HTTALDH1A1HPGDLMNANPC1
SCHEMBL28435572 0.78 KMT2A (0.44) HTTALDH1A1HPGDLMNANPC1
SCHEMBL28444190 0.77 LMNA (0.40) HTTALDH1A1LMNANPC1MITF
SCHEMBL20840111 0.77 TSHR (0.46) HTTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL15356177 0.76 KDM4E (0.57) HTTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL28433238 0.76 CYP19A1 (0.58) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL28438221 0.75 ALDH1A1 (0.37) HTTALDH1A1LMNANPC1MITF
SCHEMBL28438180 0.74 CNR2 (0.41) HTTALDH1A1HPGDSMN1; SMN2LMNA

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-106928121-B High-efficiency preparation method of 3-substituted-benzo five-membered heterocycle-2-carbonyl compound 暨南大学 2020-05-12 — — CN disclosed
Send feedback