SCHEMBL8176754

SCHEMBL8176754

COC(=O)c1ccc(-c2nc(NCc3ccc(F)cc3)c3cc(C(F)(F)F)sc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.45
TCF7L2 Q9NQB0 8/20 0.45
PTGS2 P35354 3/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAP2K4 P45985 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
SCHEMBL8184062 0.93 CYP1A2 (0.50) PTGS2MAPTLMNAMEN1KMT2A
SCHEMBL8178620 0.89 LMNA (0.47) CTNNB1TCF7L2PTGS2MAPTLMNA
SCHEMBL8169994 0.89 MEN1 (0.50) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8185475 0.89 USP1 (0.44) CTNNB1TCF7L2MAPTLMNAKMT2A
SCHEMBL8178012 0.88 PRKCI (0.49) CTNNB1TCF7L2PTGS2MAPTLMNA
SCHEMBL8182005 0.87 FLT3 (0.49) CTNNB1TCF7L2PTGS2MAPTLMNA
SCHEMBL8183034 0.87 PDE5A (0.45) MEN1KMT2A
SCHEMBL8179531 0.87 CTNNB1 (0.47) CTNNB1TCF7L2PTGS2MAPTLMNA
SCHEMBL8181036 0.86 USP1 (0.47) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL8179520 0.84 PDE5A (0.52) MAPTLMNAMEN1KMT2ACYP1A2

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 1 patent. 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