SCHEMBL14337403

SCHEMBL14337403

CCCCCCCCc1c(-c2ccccc2)nc2ncnn2c1NC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ENPP1 P22413 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA1 P30542 9/20 0.42
ADORA3 P0DMS8 8/20 0.42
ADORA2A P29274 8/20 0.42
ADORA2B P29275 7/20 0.42
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
NR2F2 P24468 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL5232567 0.78 MAPT (0.44) MEN1KMT2AENPP1HTTSMN1; SMN2
SCHEMBL5231751 0.78 KDM4E (0.44) MEN1KMT2AENPP1HTTSMN1; SMN2
SCHEMBL8806276 0.73 ADORA3 (0.42) MEN1KMT2AENPP1SMN1; SMN2ADORA1
SCHEMBL8807136 0.73 NRP1 (0.41) MEN1KMT2ASMN1; SMN2ADORA1ADORA3
SCHEMBL8805373 0.73 USP2 (0.40) MEN1KMT2ASMN1; SMN2ADORA1ADORA3
SCHEMBL14337376 0.72 MEN1 (0.40) MEN1KMT2AENPP1HTTSMN1; SMN2
SCHEMBL4821059 0.72 RAB9A (0.43) MEN1KMT2AENPP1ADORA1ADORA3
SCHEMBL5227382 0.72 MEN1 (0.47) MEN1KMT2AENPP1HTTSMN1; SMN2
SCHEMBL4822465 0.71 PDE2A (0.40) MEN1KMT2ASMN1; SMN2ADORA1ADORA3
SCHEMBL5582249 0.67 GAA (0.42) HTTSMN1; SMN2GAAATM

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-7307172-B2 7-amino triazolopyrimidines for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2007-12-11 US disclosed
US-7307172-B2 7-amino triazolopyrimidines for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2007-12-11 US disclosed