SCHEMBL8039461

SCHEMBL8039461

CN(c1ccncc1)c1csc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
CHKA P35790 2/20 0.38
CHRM5 P08912 1/20 0.38
CYP2A6 P11509 3/20 0.36
SLC6A4 P31645 1/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A2 P23975 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRM1 Q13255 1/20 0.33

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
Hydrochloric Acid SCHEMBL8039050 0.98 MAPT (0.38) MAPTCHKACHRM5CYP2A6SLC6A4
SCHEMBL2742926 0.86 MAPT (0.43) MAPTCHKACYP2A6SLC6A4RAB9A
SCHEMBL8440409 0.84 CYP2A6 (0.43) MAPTCHKACHRM5CYP2A6SMN1; SMN2
SCHEMBL8440253 0.84 CHRM5 (0.38) MAPTCHKACHRM5CYP2A6SMN1; SMN2
SCHEMBL8056316 0.80 SLC6A2 (0.38) MAPTCYP2A6SLC6A4GAASLC6A2
SCHEMBL8054092 0.79 CHKA (0.44) MAPTCHKACHRM5CYP2A6SLC6A2
SCHEMBL8051671 0.79 GRM1 (0.34) MAPTCHKACHRM5SMN1; SMN2GRM1
Hydrochloric Acid SCHEMBL8039091 0.79 ALDH1A1 (0.40) MAPTCYP2A6SLC6A4GAASLC6A2
SCHEMBL8435363 0.78 CHKA (0.36) MAPTCHKACHRM5SLC6A2SMN1; SMN2
SCHEMBL8440150 0.78 CHRM5 (0.36) MAPTCHKACHRM5RAB9ASMN1; SMN2

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
US-6022880-A Substituted pyridylamino indoles HOECHST MARION ROUSSEL, INC. (US) 2000-02-08 US disclosed
US-5328920-A Alleviating memory dysfunctions HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-07-12 US disclosed