SCHEMBL19257743

SCHEMBL19257743

CNCCn1nnc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.67
RAB9A P51151 3/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 2/20 0.58
GLA P06280 1/20 0.57
TSHR P16473 1/20 0.57
EGLN3 Q9H6Z9 2/20 0.55
KDM4E B2RXH2 1/20 0.54
GRM2 Q14416 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL6846943 0.90 SLC9A1 (0.69) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL19257747 0.83 SLC9A1 (0.62) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL4083657 0.82 SLC9A1 (0.65) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL22267861 0.82 SLC9A1 (0.61) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL5859945 0.80 SLC9A1 (0.48) SLC9A1TSHRGRM2KMT2ALMNA
SCHEMBL283896 0.80 SLC9A1 (1.00) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL13348076 0.80 RAB9A (0.59) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL14796568 0.80 SLC9A1 (0.79) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL1834794 0.77 SLC9A1 (1.00) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL5637028 0.77 SLC9A1 (0.80) SLC9A1RAB9AMAPTNPC1GLA

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
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 WO disclosed