SCHEMBL17043176

SCHEMBL17043176

OCC12CNCC1CN(Cc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.41
SIGMAR1 Q99720 3/20 0.40
GBA1 P04062 1/20 0.39
TSHR P16473 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4482745 0.81 FUCA1 (0.46) FUCA1SIGMAR1GBA1TSHRALDH1A1
SCHEMBL31325224 0.81 FUCA1 (0.46) FUCA1SIGMAR1GBA1TSHRALDH1A1
SCHEMBL14801878 0.81 FUCA1 (0.43) FUCA1SIGMAR1GBA1TSHRCYP2D6
SCHEMBL14801877 0.81 FUCA1 (0.43) FUCA1SIGMAR1GBA1TSHRCYP2D6
SCHEMBL14801875 0.81 FUCA1 (0.43) FUCA1SIGMAR1GBA1TSHRCYP2D6
SCHEMBL8388967 0.79 FUCA1 (0.44) FUCA1SIGMAR1GBA1ALDH1A1
SCHEMBL23186699 0.79 GAA (0.49) FUCA1SIGMAR1TSHRCYP2D6CYP3A4
SCHEMBL20274522 0.78 SIGMAR1 (0.41) FUCA1SIGMAR1TSHRCYP2D6CYP3A4
SCHEMBL16724578 0.78 SIGMAR1 (0.41) FUCA1SIGMAR1TSHRCYP2D6CYP3A4
SCHEMBL5465323 0.77 ALDH1A1 (0.44) FUCA1GBA1TSHRCYP2D6CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015128334-A9 3H-THIENO[3,4]PYRIMIDIN-4-ONEAND PYRROLOPYRIMID-4-ONE AS GRAM-POSITIVE ANTIBACTERIAL AGENTS LABORATOIRE BIODIM (FR) 2015-10-15 WO disclosed
WO-2015128334-A1 3H-THIENO[3,4]PYRIMIDIN-4-ONEAND PYRROLOPYRIMID-4-ONE AS GRAM-POSITIVE ANTIBACTERIAL AGENTS LABORATOIRE BIODIM (FR) 2015-09-03 WO disclosed
EP-2913333-A1 3H-thieno[3,4]pyrimidin-4-one and pyrrolopyrimidone as gram-positive antibacterial agents LABORATOIRE BIODIM (FR) 2015-09-02 EP disclosed