SCHEMBL9655842

SCHEMBL9655842

Cc1nc(N)c(C#N)c(C)c1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
ALDH1A1 P00352 7/20 0.53
HSD17B10 Q99714 4/20 0.47
HTT P42858 2/20 0.47
ADRA2A P08913 1/20 0.47
ADORA2A P29274 1/20 0.47
HPGD P15428 5/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 9/20 0.44
IDO1 P14902 1/20 0.41
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL31128225 0.86 LMNA (0.56) LMNAALDH1A1HSD17B10HTTADRA2A
SCHEMBL23841227 0.81 ALDH1A1 (0.59) LMNAALDH1A1HSD17B10HTTADRA2A
SCHEMBL16479797 0.81 ALDH1A1 (0.64) ALDH1A1HSD17B10HTTADRA2AADORA2A
SCHEMBL27900585 0.78 ALDH1A1 (0.72) ALDH1A1HSD17B10HTTADRA2AADORA2A
Hydrochloric Acid SCHEMBL28169428 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10HTTADRA2AADORA2A
SCHEMBL30785515 0.76 ALDH1A1 (0.53) LMNAALDH1A1HSD17B10HTTADRA2A
SCHEMBL8650240 0.76 ATM (0.39) LMNAALDH1A1HSD17B10HTTADRA2A
SCHEMBL8650024 0.76 ALDH1A1 (0.53) LMNAALDH1A1HSD17B10HTTADRA2A
SCHEMBL1565143 0.76 LMNA (0.53) LMNAALDH1A1HSD17B10HTTADRA2A
SCHEMBL8663843 0.75 LMNA (1.00) LMNAALDH1A1GAAKDM4EIDO1

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-0476607-A2 2-Anilino-cyanopyridines and their use for pest control BASF Aktiengesellschaft (DE) 1992-03-25 EP disclosed