SCHEMBL9464692

SCHEMBL9464692

C1=C[N]C(n2nnc3ccccc32)=C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
KCNMA1 Q12791 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 7/20 0.44
SLC9A1 P19634 4/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44
KEAP1 Q14145 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
THPO P40225 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
LMNA P02545 1/20 0.42
TSHR P16473 3/20 0.42
GAA P10253 2/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL12204565 0.72 SMN1; SMN2 (0.62) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL9465106 0.71 RAB9A (0.49) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL165333 0.71 SMN1; SMN2 (0.71) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL12204569 0.71 RAB9A (0.56) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL9465241 0.70 HTT (0.53) MAPK1POLBHTT
SCHEMBL9465640 0.70 CYP11B1 (0.41) CYP1A2GAAKDM4E
SCHEMBL24522317 0.69 KCNMA1 (0.54) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL12204536 0.69 SMN1; SMN2 (0.54) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL12204501 0.68 SLC9A1 (0.53) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1
SCHEMBL16796215 0.68 RAB9A (0.68) RAB9AKCNMA1SMN1; SMN2ALDH1A1SLC9A1

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-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed