SCHEMBL4787519

SCHEMBL4787519

COc1cc2c(cc1S(=O)(=O)N1CCCC1)-c1c(nc(N)nc1N1CCCC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.46
NPBWR1 P48145 1/20 0.46
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
MAP2K7 O14733 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4741212 0.88 KMT2A (0.49) TSHRALDH1A1GAANPBWR1KMT2A
SCHEMBL4738561 0.80 TSHR (0.48) TSHRALDH1A1KMT2APOLBMEN1
SCHEMBL4737442 0.73 MAPT (0.41) TSHRALDH1A1GAAKMT2AKDM4E
SCHEMBL4741216 0.73 TYMS (0.53) ALDH1A1
SCHEMBL4741147 0.72 ALDH1A1 (0.45) TSHRALDH1A1KMT2APOLBMEN1
SCHEMBL897635 0.64 ALDH1A1 (0.58) TSHRALDH1A1GAANPBWR1KMT2A
SCHEMBL10570472 0.63 TSHR (0.89) TSHRALDH1A1GAANPBWR1KMT2A
SCHEMBL10155932 0.62 MCOLN3 (0.72) TSHRALDH1A1GAANPBWR1KMT2A
SCHEMBL14147958 0.62 SMN1; SMN2 (0.42) TSHRALDH1A1KMT2AKDM4EHPGD
SCHEMBL4739051 0.61 ADORA2A (0.48) ALDH1A1GAAKMT2AKDM4EHPGD

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
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed