SCHEMBL18595201

SCHEMBL18595201

CCCCCCC(CCCCC)CCOCCOCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
THRB P10828 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
OPRM1 P35372 1/20 0.38
CYP3A4 P08684 1/20 0.35
DNM1 Q05193 2/20 0.34
SMPD1 P17405 3/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL23059764 0.98 LMNA (0.43) LMNATHRBHTTMEN1KMT2A
SCHEMBL19334591 0.96 LMNA (0.48) LMNATHRBHTTMEN1KMT2A
SCHEMBL19334623 0.96 LMNA (0.48) LMNATHRBHTTMEN1KMT2A
SCHEMBL19035550 0.94 LMNA (0.46) LMNATHRBHTTMEN1KMT2A
SCHEMBL15758044 0.92 LMNA (0.45) LMNATHRBHTTMEN1KMT2A
SCHEMBL9233920 0.89 LMNA (0.48) LMNATHRBHTTMEN1KMT2A
SCHEMBL23059914 0.88 LMNA (0.45) LMNATHRBHTTMEN1KMT2A
SCHEMBL15845184 0.87 HTT (0.45) LMNATHRBHTTMEN1KMT2A
SCHEMBL14958272 0.87 LMNA (0.48) LMNATHRBHTTMEN1KMT2A
SCHEMBL23060040 0.86 LMNA (0.43) LMNATHRBHTTMEN1KMT2A

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-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed