SCHEMBL27514918

SCHEMBL27514918

CSOCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.55
▸ MCL1 Q07820 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ MAOB P27338 5/20 0.44
▸ TAAR1 Q96RJ0 3/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PARP15 Q460N3 2/20 0.40
▸ PARP10 Q53GL7 2/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ PARP14 Q460N5 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ MMP1 P03956 1/20 0.37

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
SCHEMBL18596664 0.77 IDO1 (0.57) IDO1ALDH1A1MAOBTAAR1AOC3
SCHEMBL155804 0.76 IDO1 (0.61) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL2714973 0.75 IDO1 (0.67) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL31065556 0.75 IDO1 (0.67) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL12874173 0.72 IDO1 (0.57) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL13590064 0.71 IDO1 (0.61) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL13594319 0.71 IDO1 (0.61) IDO1MCL1ALDH1A1MAOBTAAR1
SCHEMBL514213 0.71 TAAR1 (0.48) IDO1ALDH1A1TAAR1NPC1L3MBTL1
SCHEMBL1520141 0.71 IDO1 (1.00) IDO1ALDH1A1MAOBTAAR1
SCHEMBL514224 0.71 IDO1 (0.61) IDO1MCL1ALDH1A1MAOBTAAR1

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-1190437-C pteridine compound for treating psoriasis ASTRAZENECA AB (SE) 2005-02-23 — — CN disclosed
CN-1404482-A Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2003-03-19 — — CN disclosed
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