SCHEMBL9465289

SCHEMBL9465289

C1=CN=C(c2ccoc2)[N]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.33
ADORA2A P29274 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
IMPDH2 P12268 1/20 0.31
PELI1 Q96FA3 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7191487 0.69 LPL (0.46) ERN1ADORA2ACHRM2CHRM4CHRM5
SCHEMBL1772039 0.65 LPL (0.54) ERN1CHRM2CHRM4CHRM5CHRM1
SCHEMBL21670474 0.64 CYP1A2 (0.42) ADORA2AMEN1USP2ALDH1A1TP53
SCHEMBL9467371 0.64 CYP1A2 (0.32) ADORA2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL5111459 0.64 TDP1 (0.38) MEN1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9465032 0.61 CYP2A6 (0.42) ERN1CYP3A4
SCHEMBL9465381 0.61 CYP1A2 (0.33) CHRM1CYP1A2CYP2D6
SCHEMBL9464847 0.61 ALDH1A1 (0.46) MEN1USP2ALDH1A1ALOX15KMT2A
SCHEMBL571400 0.61
SCHEMBL6028795 0.61 MAPT (0.55) LPLLIPGTP53CYP1A2CYP3A4

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