SCHEMBL6481035

SCHEMBL6481035

Cc1nnnn1CCCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
SLC9A1 P19634 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL2091620 0.81 KMT2A (0.47) P2RX7SLC9A1MAPK1KMT2ALMNA
SCHEMBL2088514 0.79 P2RX7 (0.46) P2RX7SLC9A1MAPK1KMT2ALMNA
SCHEMBL18526533 0.79 CYP1A2 (0.45) P2RX7CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6111448 0.78 MAPK1 (0.40) P2RX7MAPK1PSEN1PSEN2APH1B
SCHEMBL2092215 0.78 SLC9A1 (0.45) P2RX7SLC9A1MAPK1KMT2ACYP1A2
SCHEMBL2088828 0.76
SCHEMBL16522425 0.75 P2RX7 (0.46) P2RX7MAPK1KMT2ALMNAALDH1A1
SCHEMBL15186990 0.74
SCHEMBL11110518 0.74
SCHEMBL11179184 0.73 P2RX7 (0.42) P2RX7MAPK1KMT2ALMNACYP1A2

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-20050269001-A1 Ionic liquid energetic materials AMERICAN PACIFIC CORPORATION 2005-12-08 US disclosed