SCHEMBL5378540

SCHEMBL5378540

CCC(C)Nc1c(C(C)C)c(Cl)nc2ncnn12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ENPP1 P22413 2/20 0.34
HTT P42858 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 2/20 0.34
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 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
SCHEMBL5229821 1.00 CRHR1 (0.38) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL5229101 0.86 ALDH1A1 (0.39) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL5228771 0.84 ALDH1A1 (0.37) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL5228609 0.84 ALDH1A1 (0.37) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL5229336 0.82 LMNA (0.38) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL14398194 0.82 ALDH1A1 (0.36) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL14398191 0.82 ALDH1A1 (0.36) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL5226824 0.81 MBOAT4 (0.36) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL5226817 0.81 MBOAT4 (0.36) CRHR1ALDH1A1LMNAGAARAB9A
SCHEMBL7950455 0.80 CRHR1 (0.40) CRHR1ALDH1A1LMNAGAARAB9A

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