SCHEMBL7685324

SCHEMBL7685324

COc1cc(C(=O)c2c(N)sc3c2CCN(C(=O)c2ccccc2)C3)ccc1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
PDE4B Q07343 1/20 0.42
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADORA1 P30542 1/20 0.41
DRD4 P21917 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL7684068 0.93 MAPT (0.53) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL7682259 0.92 MEN1 (0.54) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL7686202 0.84 ADORA1 (0.61) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7685507 0.84 MEN1 (0.60) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL7685323 0.77 ALDH1A1 (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL7682075 0.77 MEN1 (0.52) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL20838883 0.76 MAPT (0.56) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL7001600 0.76 ADORA1 (0.67) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL6318321 0.74 ADORA1 (0.68) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL5342374 0.74 MAPT (0.63) MAPTKDM4EMEN1KMT2AALDH1A1

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
US-6403606-B1 ANTIINFLAMMATORY, ANTIARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2002-06-11 US disclosed
US-6046189-A ANTI-INFLAMMATORY DRUG, PARTICULARLY, A DRUG FOR PREVENTING OR TREATING ARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-04 US disclosed