SCHEMBL18153385

SCHEMBL18153385

CN(C)CCOc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(F)cc4)cc(C(F)(F)F)n3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.51
KMT2A Q03164 3/20 0.47
PKM P14618 2/20 0.46
MAPT P10636 2/20 0.43
HSD11B1 P28845 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1B Q00975 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
SYK P43405 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 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
SCHEMBL18162548 0.91 KMT2A (0.49) KMT2APKMMAPTHSD11B1RXFP1
SCHEMBL18162469 0.91 KMT2A (0.49) KMT2APKMMAPTHSD11B1RXFP1
SCHEMBL18161127 0.90 KMT2A (0.49) KMT2APKMMAPTHSD11B1RXFP1
SCHEMBL18153353 0.90 PKM (0.57) LSSKMT2APKMMAPTRXFP1
SCHEMBL18162553 0.89 KMT2A (0.48) KMT2APKMMAPTHSD11B1RXFP1
SCHEMBL18162556 0.89 KMT2A (0.49) KMT2APKMMAPTHSD11B1RXFP1
SCHEMBL18162456 0.89 NPC1 (0.53) KMT2APKMMAPTNPC1RAB9A
SCHEMBL18162587 0.88 KMT2A (0.47) KMT2APKMMAPTHSD11B1RXFP1
SCHEMBL18153410 0.87 MAPT (0.51) KMT2APKMMAPTNPC1RAB9A
SCHEMBL18153388 0.86 KMT2A (0.47) KMT2APKMMAPTNPC1RAB9A

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
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
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