SCHEMBL5266262

SCHEMBL5266262

c1ccc2cc3c(-c4nnco4)cccc3cc2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.53
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PDK2 Q15119 1/20 0.43
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR8 Q9NR97 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 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
SCHEMBL2210038 0.84 NOTUM (0.58) NOTUMKDM4ERXFP1PDK2TSHR
SCHEMBL30413010 0.84 NOTUM (0.58) NOTUMKDM4ERXFP1PDK2TSHR
SCHEMBL11666945 0.79 NOTUM (0.51) NOTUMKDM4ERXFP1PDK2TSHR
SCHEMBL3970760 0.74 NOTUM (0.78) NOTUMKDM4ETSHRTLR8ALDH1A1
SCHEMBL4718626 0.73 BRD4 (0.43) KDM4ETSHRNPC1TP53RAB9A
SCHEMBL2871930 0.73 ALDH1A1 (0.50) KDM4ETSHRTP53SMN1; SMN2KMT2A
SCHEMBL29354014 0.73 ALDH1A1 (0.50) KDM4ETSHRTP53SMN1; SMN2KMT2A
SCHEMBL5266259 0.72 ALOX15 (0.35) KDM4ETSHRNPC1TP53RAB9A
SCHEMBL3624979 0.72 NOTUM (0.59) NOTUMPDK2TSHRNPC1TP53
SCHEMBL537002 0.71 ALDH1A1 (0.52) KDM4ETSHRTP53SMN1; SMN2KMT2A

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-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed