SCHEMBL30617434

SCHEMBL30617434

N#CCCCOc1cc(Br)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ HPGD P15428 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ERN1 O75460 1/20 0.37
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ P2RY12 Q9H244 2/20 0.36
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL20540458 1.00 PTGDR2 (0.44) PTGDR2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL30457873 0.83 PTGDR2 (0.44) PTGDR2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL21639308 0.83 PTGDR2 (0.44) PTGDR2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL2771758 0.80 PTGDR2 (0.48) PTGDR2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL20335399 0.80 PTGDR2 (0.50) PTGDR2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL4645847 0.79 PTGDR2 (0.47) PTGDR2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL28931504 0.78 PTGDR2 (0.49) PTGDR2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL3224950 0.78 HPGD (0.55) PTGDR2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL28649792 0.78 PTGDR2 (0.43) PTGDR2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL12953379 0.78 PTGDR2 (0.46) PTGDR2HPGDALDH1A1HTTSMN1; SMN2

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
CN-118878461-A PD-1/PD-L1 inhibitors 吉利德科学公司 2024-11-01 — — CN disclosed
CN-112041311-B PD-1/PD-L1 inhibitors 吉利德科学公司 2023-10-03 — — CN disclosed
Send feedback