SCHEMBL2853075

SCHEMBL2853075

O=C(NCC1CCCO1)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.57
KDM4E B2RXH2 4/20 0.52
RECQL P46063 1/20 0.52
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 3/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
STAT1 P42224 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
SHMT2 P34897 1/20 0.46
ALOX12 P18054 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2858063 0.79 MAPT (0.57) KDM4EMAPTSMN1; SMN2NPC1LMNA
SCHEMBL2858205 0.78 RAB9A (0.49) MAPTSMN1; SMN2MEN1NPC1LMNA
SCHEMBL2850703 0.77 CNR1 (0.56) MAPTSMN1; SMN2MEN1NPC1LMNA
SCHEMBL2853112 0.77 SMN1; SMN2 (0.58) HPGDKDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL2880891 0.76 CNR1 (0.54) KDM4EMAPTSMN1; SMN2MEN1NPC1
SCHEMBL2854401 0.76 RAB9A (0.46) KDM4EMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL2859857 0.76 CNR1 (0.55) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL2872664 0.76 MALT1 (0.42) MAPTNPC1RAB9A
SCHEMBL2860983 0.75 MAPT (0.49) HPGDKDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL2853232 0.75 CCR1 (0.48) KDM4EMAPTSMN1; SMN2MEN1NPC1

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed