SCHEMBL6986217

SCHEMBL6986217

COc1ccc(CCc2cccs2)cc1OC.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
ATM Q13315 3/20 0.56
CYP19A1 P11511 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CA2 P00918 1/20 0.49
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
ABCB1 P08183 1/20 0.48
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL6986357 0.98 ALDH1A1 (0.61) ALDH1A1ATMCYP19A1MEN1KMT2A
SCHEMBL6985211 0.88 CALM1 (0.59) ALDH1A1ATMMEN1KMT2ACYP1A2
SCHEMBL28546549 0.84 CA2 (0.61) ALDH1A1ATMMEN1KMT2AKDM4E
SCHEMBL10499446 0.81 SLC2A1 (0.62) ALDH1A1ATMMEN1KMT2AKDM4E
SCHEMBL31157848 0.79 CYP19A1 (0.77) ALDH1A1ATMCYP19A1KMT2AKDM4E
SCHEMBL16641094 0.79 CYP19A1 (0.77) ALDH1A1ATMCYP19A1KMT2AKDM4E
SCHEMBL10335393 0.77 CYP19A1 (0.81) ALDH1A1ATMCYP19A1KMT2AKDM4E
SCHEMBL7670726 0.77 HPGD (0.59) ALDH1A1KMT2APTGS1PTGS2POLB
SCHEMBL10452193 0.76 ALDH1A1 (0.69) ALDH1A1ATMMEN1KMT2AMAPT
SCHEMBL8604705 0.74 CYP19A1 (0.70) ALDH1A1ATMCYP19A1KMT2AKDM4E

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-1307193-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY Affymax Research Institute (US) 2003-05-07 EP disclosed
WO-2002009706-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2002-02-07 WO disclosed