SCHEMBL30294199

SCHEMBL30294199

NNc1nc(-c2cccc(Br)c2)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 1/20 0.67
HK1 P19367 1/20 0.67
RAB9A P51151 1/20 0.67
HKDC1 Q2TB90 1/20 0.67
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
GFER P55789 1/20 0.64
CSNK2A2 P19784 1/20 0.57
CSNK2B P67870 1/20 0.57
CSNK2A1 P68400 1/20 0.57
CSNK2A3 Q8NEV1 1/20 0.57
GAA P10253 1/20 0.57
KDM1A O60341 1/20 0.55
MAOA P21397 1/20 0.55
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
GUSB P08236 1/20 0.52

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
SCHEMBL22299979 0.84 MAPT (0.62) MAPTALDH1A1HPGDHK1RAB9A
SCHEMBL28902768 0.81 MEN1 (0.61) MAPTALDH1A1HPGDHK1RAB9A
SCHEMBL30660070 0.81 MEN1 (0.61) MAPTALDH1A1HPGDHK1RAB9A
SCHEMBL30118266 0.81 MEN1 (0.67) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28911568 0.81 MEN1 (0.64) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL30118263 0.81 MEN1 (0.64) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL28960730 0.81 MEN1 (0.67) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23714821 0.81 MAPT (0.57) MAPTALDH1A1HPGDHK1RAB9A
SCHEMBL10926224 0.81 MEN1 (0.71) MAPTALDH1A1HPGDHK1RAB9A
SCHEMBL1091753 0.80 ALDH1A1 (1.00) MAPTALDH1A1HPGDHK1RAB9A

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-113880786-B Synthesis method and anti-oxidation application of camphene aldehyde thiazole hydrazone derivative 江西农业大学 2023-03-03 CN disclosed