SCHEMBL5266259

SCHEMBL5266259

[c]1nnc(-c2cccc3cc4ccccc4cc23)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 9/20 0.35
KDM4E B2RXH2 7/20 0.35
HSD17B10 Q99714 7/20 0.35
RAB9A P51151 3/20 0.35
ATM Q13315 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 6/20 0.33
MAPT P10636 5/20 0.33
MAPK1 P28482 4/20 0.33
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5267951 0.85 ALOX15 (0.47) ALOX15ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL5266262 0.72 NOTUM (0.53) ALDH1A1KDM4ERAB9ATSHRSMN1; SMN2
SCHEMBL2871930 0.72 ALDH1A1 (0.50) ALOX15ALDH1A1KDM4EHSD17B10ATM
SCHEMBL29354014 0.72 ALDH1A1 (0.50) ALOX15ALDH1A1KDM4EHSD17B10ATM
SCHEMBL8630238 0.70 RAB9A (0.57) ALDH1A1KDM4EHSD17B10RAB9AHPGD
SCHEMBL8629170 0.70 CASP3 (0.46) ALDH1A1KDM4EHSD17B10RAB9ACYP1A2
SCHEMBL537002 0.70 ALDH1A1 (0.52) ALOX15ALDH1A1KDM4EHSD17B10ATM
SCHEMBL27506937 0.70 ALDH1A1 (0.48) ALOX15ALDH1A1KDM4EHSD17B10ATM
SCHEMBL29538643 0.70 ALDH1A1 (0.48) ALOX15ALDH1A1KDM4EHSD17B10ATM
SCHEMBL4718626 0.69 BRD4 (0.43) ALDH1A1KDM4EHSD17B10RAB9AATM

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