SCHEMBL28104485

SCHEMBL28104485

CCc1oc2ccccc2c1C(=O)c1cc(C#N)c(O)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 7/20 0.59
▸ EYA3 Q99504 7/20 0.59
▸ CYP2C9 P11712 6/20 0.59
▸ TTR P02766 5/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ ABCB11 O95342 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ PGR P06401 2/20 0.59
▸ ADRA2A P08913 2/20 0.59
▸ TBXA2R P21731 2/20 0.59
▸ OPRM1 P35372 2/20 0.59
▸ SLC6A3 Q01959 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ BIRC5 O15392 1/20 0.59
▸ HTR1A P08908 1/20 0.59
▸ DRD1 P21728 1/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ PDE4A P27815 1/20 0.59
▸ ADORA1 P30542 1/20 0.59

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
SCHEMBL29286594 0.89 EYA3 (0.70) CYP2C19EYA3CYP2C9TTRMEN1
SCHEMBL29286599 0.89 EYA3 (0.70) CYP2C19EYA3CYP2C9TTRMEN1
SCHEMBL29286598 0.88 SLC22A12 (0.47) CYP2C19EYA3CYP2C9TTRMEN1
SCHEMBL28104860 0.85 CYP2C19 (0.78) CYP2C19EYA3CYP2C9TTRMEN1
SCHEMBL29286589 0.84 EYA3 (0.80) CYP2C19EYA3CYP2C9TTRMEN1
SCHEMBL29286592 0.84 CYP2C19 (0.79) CYP2C19EYA3CYP2C9TTRMEN1
SCHEMBL28104484 0.84 EYA3 (0.80) CYP2C19EYA3CYP2C9TTRMEN1
SCHEMBL28104498 0.81 EYA3 (0.64) CYP2C19EYA3CYP2C9TTRMEN1
SCHEMBL1287589 0.79 EYA3 (0.71) CYP2C19EYA3CYP2C9TTRMEN1
SCHEMBL28104862 0.76 EYA3 (0.57) CYP2C19EYA3CYP2C9TTRMEN1

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-106065010-B For treating or preventing the compound of hyperuricemia or gout 镇江新元素医药科技有限公司 2019-01-01 — — CN disclosed
CN-106065010-A For treating or prevent the compound of hyperuricemia or gout 镇江新元素医药科技有限公司 2016-11-02 — — CN disclosed
Send feedback