SCHEMBL28463115

SCHEMBL28463115

Cc1ccccc1C(=[N+]=[N-])C(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
ADRA1A P35348 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TYK2 P29597 1/20 0.36
F2R P25116 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PDCD1 Q15116 1/20 0.36

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
SCHEMBL28467474 0.84 F2R (0.39) SMN1; SMN2GAANPC1RAB9AADRA1A
SCHEMBL28319862 0.81 NPC1 (0.44) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28370805 0.80 SMN1; SMN2 (0.45) HPGDSMN1; SMN2GAANPC1RAB9A
SCHEMBL7640207 0.80 HPGD (0.44) HPGDSMN1; SMN2GAANPC1RAB9A
SCHEMBL28319996 0.79 TSHR (0.50) SMN1; SMN2GAANPC1RAB9AALDH1A1
SCHEMBL28793889 0.77 HPGD (0.42) HPGDSMN1; SMN2GAANPC1RAB9A
SCHEMBL277670 0.75 NPC1 (0.56) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL991197 0.75 ERCC5 (0.50) HPGDSMN1; SMN2GAANPC1RAB9A
SCHEMBL28470289 0.75 ALDH1A1 (0.41) HPGDSMN1; SMN2GAANPC1RAB9A
SCHEMBL27512567 0.74 ALDH1A1 (0.40) HPGDSMN1; SMN2GAANPC1RAB9A

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-111808003-A Preparation method of thioether 甘肃农业大学 2020-10-23 CN claimed
CN-111808003-A Preparation method of thioether 甘肃农业大学 2020-10-23 CN disclosed