SCHEMBL8171027

SCHEMBL8171027

Cc1sc2nc(N3CCC(C(=O)O)CC3)nc(NCc3ccccc3)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
EPHX2 P34913 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
CTNNB1 P35222 8/20 0.45
TCF7L2 Q9NQB0 8/20 0.45
PDE5A O76074 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HTT P42858 1/20 0.44
STAT3 P40763 1/20 0.44
GAA P10253 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL8180936 0.92 KDM4E (0.46) SMN1; SMN2KDM4EALDH1A1LMNACTNNB1
SCHEMBL8170901 0.91 EPHX2 (0.46) MAPTEPHX2KDM4ECTNNB1TCF7L2
SCHEMBL8179718 0.90 MAPT (0.46) SMN1; SMN2MAPTEPHX2KDM4EALDH1A1
SCHEMBL7012162 0.88 ALDH1A1 (0.44) SMN1; SMN2MAPTEPHX2KDM4EALDH1A1
SCHEMBL8180295 0.87 PDE4A (0.49) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL8179661 0.87 RHOA (0.43) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL8179618 0.86 PDE4A (0.44) SMN1; SMN2MAPTEPHX2KDM4EPDE5A
SCHEMBL8179286 0.85 PDE4A (0.57) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL8177034 0.85 PDE4A (0.64) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL7012439 0.85 ALDH1A1 (0.43) SMN1; SMN2MAPTEPHX2KDM4EALDH1A1

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
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-5948911-A Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed