SCHEMBL6916937

SCHEMBL6916937

CCCc1nn(C)c(O)c1C(=O)c1cncc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.32
TERT O14746 1/20 0.32
RAB9A P51151 7/20 0.32
NPC1 O15118 5/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
SPR P35270 1/20 0.32
HTT P42858 3/20 0.32
NTRK1 P04629 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6820940 0.83 SMN1; SMN2 (0.35) HCAR2SMN1; SMN2TERTRAB9ANPC1
SCHEMBL2214214 0.79 ALDH1A1 (0.43) HCAR2MAPTALDH1A1LMNAHTT
SCHEMBL6920029 0.75 HCAR2 (0.39) HCAR2SMN1; SMN2TERTRAB9ANPC1
SCHEMBL6920152 0.73 SMN1; SMN2 (0.39) HCAR2SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL6919835 0.72 L3MBTL1 (0.47) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL10753599 0.68 RAB9A (0.44) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL6918282 0.68 ALDH1A1 (0.42) HCAR2SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL6921028 0.68 P2RX7 (0.38) SMN1; SMN2TERTRAB9ANPC1MAPT
SCHEMBL10962761 0.66 SMN1; SMN2 (0.37) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL7441039 0.66 HCAR2 (0.39) HCAR2SMN1; SMN2RAB9AMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004033431-A2 HYDROXYPYRAZOLES FOR USE AGAINST METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO claimed
WO-2004033431-A2 HYDROXYPYRAZOLES FOR USE AGAINST METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed