SCHEMBL30700809

SCHEMBL30700809

Oc1cccc2[nH]c3ccccc3c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 1.00
IMPDH1 P20839 1/20 1.00
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 2/20 0.54
GPR3 P46089 1/20 0.54
CHEK1 O14757 2/20 0.54
CDK4 P11802 2/20 0.53
CCND1 P24385 2/20 0.53
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52

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
SCHEMBL151982 1.00 IMPDH2 (1.00) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL31780731 1.00 IMPDH2 (1.00) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL28849158 0.86 IMPDH2 (0.74) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL31059042 0.85 IMPDH2 (0.73) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL30565440 0.84 IMPDH2 (0.72) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL9348524 0.84 IMPDH2 (0.72) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL3886120 0.84 IMPDH2 (0.71) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL18209358 0.81 IMPDH2 (0.68) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL20597354 0.80 IMPDH2 (0.67) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3
SCHEMBL3878246 0.79 IMPDH2 (0.66) IMPDH2IMPDH1ALDH1A1HSD17B10GPR3

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
CN-117295524-A Drug conjugates and uses thereof 百奥泰生物制药股份有限公司 2023-12-26 CN disclosed