SCHEMBL22009167

SCHEMBL22009167

COc1cc(/C=C/c2ccncc2)ccc1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.75
HPGD P15428 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
ALDH1A1 P00352 1/20 0.75
CYP1A2 P05177 4/20 0.58
KDM4E B2RXH2 2/20 0.58
CYP2D6 P10635 2/20 0.58
NPC1 O15118 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 1/20 0.58
CYP1A1 P04798 4/20 0.54
CYP1B1 Q16678 4/20 0.54
TUBB1 Q9H4B7 6/20 0.54
TUBB4A P04350 3/20 0.50
TUBB P07437 3/20 0.50
TUBA3C P0DPH7 3/20 0.50
TUBA1B P68363 3/20 0.50
TUBA4A P68366 3/20 0.50

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
SCHEMBL6241247 0.86 HPGD (1.00) MAPTHPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL6241242 0.86 HPGD (1.00) MAPTHPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8854387 0.81 MAPT (0.73) MAPTHPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL22009175 0.80 CYP1A1 (0.63) MAPTHPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9185668 0.79 MAPT (0.69) MAPTHPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9184955 0.79 MAPT (0.69) MAPTHPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9184961 0.79 MAPT (0.69) MAPTHPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL19730091 0.78 TYR (0.65) MAPTHPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL12903076 0.78 TYR (0.65) MAPTHPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL14107600 0.78 TUBB1 (0.53) MAPTHPGDSMN1; SMN2ALDH1A1CYP1A2

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
EP-3041904-B1 STYRYL SULFIDE DYES BASF SE (DE) 2020-05-20 EP disclosed