SCHEMBL18153366

SCHEMBL18153366

Cc1ccc(Nc2cc(Cl)nc(N3CCN(C(=O)O)CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
BPTF Q12830 1/20 0.46
CCNE1 P24864 3/20 0.46
CDK2 P24941 3/20 0.46
GALR2 O43603 3/20 0.44
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GALR1 P47211 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL18153299 0.88 CCNE1 (0.48) MAPTCCNE1CDK2GALR2GALR1
SCHEMBL18153314 0.88 LMNA (0.66) MAPTLMNABPTFCCNE1CDK2
SCHEMBL18162439 0.85 ACHE (0.47) MAPTLMNABPTFCCNE1CDK2
SCHEMBL18153312 0.84 LMNA (0.49) MAPTLMNABPTFCCNE1CDK2
SCHEMBL18153311 0.84 MAPT (0.58) MAPTLMNABPTFGALR2GALR1
SCHEMBL18153389 0.81 ROCK2 (0.56) MAPTLMNABPTFGALR2POLB
SCHEMBL17673690 0.81 MAPT (0.77) MAPTLMNAPOLBNPSR1ALDH1A1
SCHEMBL21815386 0.77 GBA1 (0.51) MAPTLMNANPSR1ALDH1A1KDM4E
SCHEMBL18153275 0.76 GALR2 (0.48) MAPTCCNE1CDK2GALR2SMN1; SMN2
SCHEMBL18153277 0.75 BPTF (0.55) MAPTLMNABPTFALDH1A1KDM4E

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-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO disclosed