SCHEMBL7873175

SCHEMBL7873175

Cc1ccc(-c2nnn(CCF)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
KCNH2 Q12809 1/20 0.64
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 5/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL3544012 0.80 LMNA (0.71) LTA4HCYP2D6CYP2C9KCNH2RAB9A
SCHEMBL7871401 0.80 KMT2A (0.48) LTA4HCYP2D6CYP2C9KCNH2RAB9A
SCHEMBL6323522 0.78 CYP2C9 (0.72) LTA4HCYP2D6CYP2C9KCNH2RAB9A
SCHEMBL5775 0.76 LTA4H (0.51) LTA4HCYP2D6CYP2C9KCNH2RAB9A
Ammonia Solution, Strong SCHEMBL28862490 0.74 LTA4H (0.50) LTA4HCYP2D6CYP2C9KCNH2RAB9A
SCHEMBL15782888 0.73 SMN1; SMN2 (0.56) LTA4HCYP2D6CYP2C9KCNH2RAB9A
SCHEMBL6324652 0.73 HPGD (0.63) LTA4HCYP2D6CYP2C9KCNH2RAB9A
SCHEMBL22205174 0.73 LTA4H (0.53) LTA4HCYP2D6CYP2C9KCNH2RAB9A
SCHEMBL10734114 0.72 RAB9A (0.50) LTA4HCYP2D6CYP2C9KCNH2RAB9A
SCHEMBL6324649 0.70 SMN1; SMN2 (0.49) LTA4HCYP2D6CYP2C9KCNH2RAB9A

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-H2007-H1 INSECTICIDES FMC CORPORATION 2001-12-04 US disclosed
WO-1997026252-A1 INSECTICIDAL N-HETEROCYCLYLALKYL- OR N-[(POLYCYCLYL)-ALKYL]-N'-SUBSTITUTED PIPERAZINES FMC CORPORATION (US) 1997-07-24 WO disclosed