SCHEMBL8975110

SCHEMBL8975110

CO/C(C)=C(/C(=O)O)c1ccccc1Oc1cc(Oc2ccccc2NS)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CCR2 P41597 6/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ATM Q13315 1/20 0.35
CCR1 P32246 1/20 0.35
PTK2 Q05397 1/20 0.34
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL248232 0.91 MEN1 (0.36) MEN1KMT2ACCR2MAPK8MAPK10
SCHEMBL9281283 0.86 NPC1 (0.33) MAPK8MAPK10RAB9ANPSR1LMNA
SCHEMBL203796 0.85 SMN1; SMN2 (0.42) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL7758309 0.85 KDR (0.39) MEN1KMT2AMAPK8ALDH1A1SMN1; SMN2
SCHEMBL7633885 0.85 SMN1; SMN2 (0.42) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL203517 0.85 KDR (0.39) MEN1KMT2AMAPK8ALDH1A1SMN1; SMN2
SCHEMBL709626 0.85 ALDH1A1 (0.44) MEN1KMT2ACCR2RAB9AALDH1A1
SCHEMBL27075764 0.85 ALDH1A1 (0.44) MEN1KMT2ACCR2RAB9AALDH1A1
SCHEMBL8522027 0.83 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL7625439 0.83 HTR2C (0.41) MEN1KMT2ACCR2RAB9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705160-A1 FUNGICIDAL ACTIVE-SUBSTANCE COMBINATION BAYER AG (DE) 1996-04-10 EP disclosed
WO-1995034204-A1 BACTERICIDE THIADIAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1995-12-21 WO disclosed
WO-1995000303-A1 FUNGICIDAL ACTIVE-SUBSTANCE COMBINATION BAYER AKTIENGESELLSCHAFT (DE) 1995-01-05 WO disclosed