SCHEMBL6027478

SCHEMBL6027478

COc1cc2c(O[C@H]3CCCC(C)C3)c(C(=O)O)sc2cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
STING1 Q86WV6 6/20 0.38
PIK3CD O00329 1/20 0.37
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MAPK10 P53779 1/20 0.35
PDE4D Q08499 5/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL6027105 1.00 KMT2A (0.38) KMT2ASTING1PIK3CDGAATSHR
SCHEMBL6464461 1.00 KMT2A (0.38) KMT2ASTING1PIK3CDGAATSHR
SCHEMBL6467655 1.00 KMT2A (0.38) KMT2ASTING1PIK3CDGAATSHR
SCHEMBL6026767 0.91 KMT2A (0.45) KMT2ASTING1PDE4DPDE4APDE4B
SCHEMBL6026232 0.89 STING1 (0.40) KMT2ASTING1MTNR1AMTNR1BLMNA
SCHEMBL4770361 0.88 PIK3CD (0.47) KMT2ASTING1PIK3CDGAATSHR
SCHEMBL6025152 0.88 KMT2A (0.47) KMT2ASTING1PDE4DPDE4APDE4B
SCHEMBL6026200 0.88 KMT2A (0.47) KMT2ASTING1PDE4DPDE4APDE4B
SCHEMBL6026496 0.87 PIK3CD (0.36) KMT2ASTING1PIK3CDGAATSHR
SCHEMBL6020509 0.85 STING1 (0.42) KMT2ASTING1PIK3CD

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
EP-1664037-A1 HALO SUBSTITUTED BENZO [B] THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-06-07 EP disclosed
WO-2005023800-A1 HALO SUBSTITUTED BENZO`B! THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-17 WO disclosed