SCHEMBL19562895

SCHEMBL19562895

CC(C)Cc1ccc2ccccc2c1-c1ccc(C#N)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 14/20 0.48
▸ ANPEP P15144 1/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ IMPDH1 P20839 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ DNMT1 P26358 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ AR P10275 1/20 0.35

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
SCHEMBL19435497 0.74 SLC22A12 (0.54) SLC22A12IMPDH2IMPDH1DNMT1CA1
SCHEMBL19435572 0.74 SLC22A12 (0.51) SLC22A12ANPEPIMPDH2IMPDH1DNMT1
SCHEMBL19435574 0.73 IMPDH2 (0.64) SLC22A12IMPDH2IMPDH1CA1CA2
SCHEMBL13948301 0.70 CA1 (0.53) SLC22A12ANPEPIMPDH2IMPDH1DNMT1
SCHEMBL29039496 0.70 CA1 (0.50) SLC22A12DNMT1CA1CA2
SCHEMBL2353695 0.69 CA1 (0.53) SLC22A12IMPDH2IMPDH1CA1CA2
SCHEMBL16917824 0.68 IMPDH2 (0.57) SLC22A12IMPDH2IMPDH1CA1CA2
SCHEMBL271166 0.68 TDP1 (0.45) —
SCHEMBL6547337 0.68 TSHR (0.50) —
SCHEMBL19435545 0.68 SLC22A12 (0.57) SLC22A12IMPDH2IMPDH1AR

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-3241822-A1 URAT1 INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2017-11-08 — — EP disclosed
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