SCHEMBL9524079

SCHEMBL9524079

COCCC#CNc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 4/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
CA2 P00918 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32
ADRB2 P07550 1/20 0.32

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
SCHEMBL7799960 0.75 IDO1 (0.36) KCNH3MAPTALDH1A1GAAMAPK1
SCHEMBL3121931 0.74 SMN1; SMN2 (0.39) ALDH1A1POLBNPSR1HPGDMAPK1
SCHEMBL4841692 0.74 ALDH1A1 (0.41) MAPTALDH1A1GAANPSR1HPGD
SCHEMBL10430154 0.73 CYP1A2 (0.42) KCNH3MAPTALDH1A1MAPK1MEN1
SCHEMBL449614 0.71 TSHR (0.43) MAPTALDH1A1HPGDMAPK1MEN1
SCHEMBL30521955 0.70 L3MBTL1 (0.39) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL2929976 0.70 CYP1A2 (0.46) MAPTALDH1A1MAPK1TP53CA2
SCHEMBL1922270 0.70 ALDH1A1 (0.50) MAPTALDH1A1GAAHPGDMAPK1
Hydrochloric Acid SCHEMBL31017535 0.68 BLM (0.48) MAPTALDH1A1MAPK1ALOX12HTT
SCHEMBL632952 0.66 KCNH3 (0.62) KCNH3MAPTALDH1A1GAAHPGD

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
JP-5025105-A None JP disclosed
JP-H0525105-A N-METHOXYBUTYNYLANILINE DERIVATIVE AND ITS PRODUCTION CENTRAL GLASS CO LTD 1993-02-02 JP disclosed