SCHEMBL23901243

SCHEMBL23901243

O=C(NCCN1CCNCC1)Nc1nc2ccc(Br)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.64
ALDH1A1 P00352 2/20 0.54
CLK1 P49759 2/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
CYP3A4 P08684 4/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
DYRK1A Q13627 1/20 0.52
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
MET P08581 5/20 0.48
LRRK2 Q5S007 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6068116 0.94 ABL1 (0.58) ABL1ALDH1A1CLK1MAPTHTT
SCHEMBL23900995 0.89 ABL1 (0.66) ABL1ALDH1A1CLK1MAPTHTT
SCHEMBL6067899 0.86 ABL1 (0.62) ABL1CYP3A4RAB9ANPC1DYRK1A
SCHEMBL31286772 0.84 MAPT (0.47) ABL1ALDH1A1CLK1MAPTHTT
SCHEMBL31286834 0.83 ALDH1A1 (0.77) ALDH1A1CLK1MAPTHTTCYP3A4
SCHEMBL6068058 0.82 ABL1 (0.62) ABL1ALDH1A1CYP3A4RAB9ANPC1
SCHEMBL23901131 0.82 ABL1 (0.67) ABL1CYP3A4MET
SCHEMBL23901071 0.81 ABL1 (0.66) ABL1CYP3A4MET
SCHEMBL1302829 0.80 RAB9A (0.64) ABL1ALDH1A1CLK1MAPTHTT
SCHEMBL23901018 0.79 ABL1 (0.86) ABL1

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-2021201576-A1 BENZOTHIAZOLE DERIVATIVE COMPOUND 주식회사 이노큐어테라퓨틱스 2021-10-07 WO disclosed