SCHEMBL7983584

SCHEMBL7983584

COc1cc2c(cc1OC)C(Cc1ccncc1)c1cc(OC)c(OC)cc1-2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CYP19A1 P11511 6/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.41
CHRM1 P11229 1/20 0.41
PDE4A P27815 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL7984054 0.83 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2
SCHEMBL9372932 0.82 TUBB4A (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL7970224 0.75 CYP19A1 (0.41) CYP19A1
SCHEMBL7983609 0.70 PDE10A (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL1114939 0.70 PDE4D (0.81) PDE4DCYP19A1
SCHEMBL7980288 0.70 KCNH2 (0.47) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8111113 0.68 CYP19A1 (0.47) CYP19A1SMN1; SMN2
SCHEMBL4087810 0.68 TSHR (0.42) PDE4DKDM4EALDH1A1GAAPDE4A
Hydrochloric Acid SCHEMBL9719344 0.67 CYP19A1 (0.46) CYP19A1SMN1; SMN2
SCHEMBL7604783 0.67 KDM4E (0.66) KDM4EALDH1A1GLACYP19A1SMN1; SMN2

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
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed