SCHEMBL29048631

SCHEMBL29048631

CCc1cc(Cl)ccc1-c1cc(-c2ccc(-c3c(C)cc(C)cc3C)cc2N)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROS1 P08922 1/20 0.37
MAP4K4 O95819 2/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
PPP1CA P62136 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
JAK2 O60674 3/20 0.32
SHMT1 P34896 1/20 0.32
DPP4 P27487 1/20 0.31
LCK P06239 1/20 0.31
KIT P10721 1/20 0.31
SRC P12931 1/20 0.31
FLT3 P36888 1/20 0.31
USP7 Q93009 1/20 0.31

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
SCHEMBL29048689 0.88 MAP4K4 (0.40) ROS1MAP4K4MAPTSMN1; SMN2TAAR1
SCHEMBL29048628 0.77 RAPGEF4 (0.39) MAP4K4SHMT1PIK3CG
SCHEMBL29048660 0.77 PTPRC (0.41) MAPTL3MBTL1
SCHEMBL29048618 0.76 TSHR (0.37) ROS1NPC1LMNAMAPTHTT
SCHEMBL28352644 0.76 JAK2 (0.34) NPC1MAPTSMN1; SMN2JAK2
SCHEMBL28348937 0.74 ALOX5AP (0.39) TLR8JAK2LCK
SCHEMBL29048688 0.73 PIK3CG (0.40) MAP4K4SHMT1PIK3CG
SCHEMBL16743584 0.69 CCR1 (0.52) ROS1
SCHEMBL31458508 0.67 CCR1 (0.45) ROS1
SCHEMBL19412041 0.67 CCR1 (0.45) ROS1

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
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed