SCHEMBL17667979

SCHEMBL17667979

OC#Cc1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 2/20 0.60
▸ IMPDH1 P20839 1/20 0.60
▸ GPR84 Q9NQS5 2/20 0.46
▸ ATM Q13315 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PBRM1 Q86U86 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ APP P05067 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ CCNE2 O96020 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ CDK1 P06493 1/20 0.42

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
SCHEMBL4736533 0.83 IMPDH2 (0.64) IMPDH2IMPDH1GPR84ATMMEN1
SCHEMBL3760031 0.80 IMPDH2 (0.60) IMPDH2IMPDH1GPR84ATMMEN1
SCHEMBL17506602 0.79 IMPDH2 (0.69) IMPDH2IMPDH1GPR84ATMMEN1
SCHEMBL14837630 0.78 IMPDH2 (0.58) IMPDH2IMPDH1GPR84ATMMEN1
SCHEMBL8161503 0.77 IMPDH2 (0.56) IMPDH2IMPDH1GPR84ATMMEN1
SCHEMBL6577130 0.77 ALDH1A1 (0.53) IMPDH2IMPDH1GPR84ATMMEN1
SCHEMBL17540776 0.76 IMPDH2 (0.55) IMPDH2IMPDH1GPR84ATMMEN1
SCHEMBL5797502 0.76 IMPDH2 (0.55) IMPDH2IMPDH1GPR84ATMMEN1
SCHEMBL7237886 0.75 IMPDH2 (0.64) IMPDH2IMPDH1GPR84ATMMEN1
SCHEMBL1752696 0.75 IMPDH2 (0.64) IMPDH2IMPDH1GPR84ATMMEN1

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
EP-1294699-B1 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORP (US) 2016-04-13 — — EP claimed
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