SCHEMBL8015744

SCHEMBL8015744

N#CC1=C(Nc2ccc(F)cc2)CCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
LMNA P02545 1/20 0.66
GRM5 P41594 1/20 0.42
GRM1 Q13255 1/20 0.42
DHODH Q02127 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FGFR1 P11362 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
CDC7 O00311 1/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
CTSB P07858 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL8017798 0.97 MAPT (0.71) MAPTLMNAGRM5GRM1DHODH
SCHEMBL8015461 0.79 LMNA (0.57) MAPTLMNAGRM5NPC1RAB9A
SCHEMBL8017383 0.79 MAPT (0.71) MAPTLMNAGRM5TDP1ALDH1A1
SCHEMBL8006281 0.79 MAPT (0.60) MAPTLMNANPC1RAB9ATDP1
SCHEMBL8019573 0.78 MAPT (0.55) MAPTLMNAGRM5NPC1RAB9A
SCHEMBL13192232 0.76 MAPT (0.57) MAPTLMNATDP1ALDH1A1
SCHEMBL29152732 0.76 LMNA (0.42) MAPTLMNAGRM1ALDH1A1HPGD
SCHEMBL8019313 0.74 MAPT (0.48) MAPTLMNANPC1RAB9ATDP1
SCHEMBL8022790 0.70 LMNA (0.50) MAPTLMNANPC1RAB9AFGFR1
SCHEMBL8018197 0.69 MAPK14 (0.42) MAPTLMNADHODHNPC1RAB9A

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-6130228-A Polycyclic compounds UNIVERSITY OF STRATHCLYDE (GB) 2000-10-10 US disclosed