SCHEMBL6920857

SCHEMBL6920857

Cc1nn(C)c(O)c1C(=O)c1ccc(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NTRK1 P04629 1/20 0.34
PIM1 P11309 1/20 0.34
ACVR1 Q04771 1/20 0.34
ADORA3 P0DMS8 3/20 0.33
SPR P35270 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7125247 0.83 KDM4E (0.42) KDM4EKMT2ALMNANPC1RAB9A
SCHEMBL10751737 0.81 LMNA (0.43) KDM4EALDH1A1MEN1KMT2ARXFP1
SCHEMBL6919650 0.77 KMT2A (0.46) KDM4EALDH1A1KMT2ALMNASPR
SCHEMBL6915552 0.77 SPR (0.33) KDM4EALDH1A1KMT2ARXFP1SPR
SCHEMBL27588870 0.75 KDM4E (0.46) KDM4EALDH1A1LMNAACVR1SPR
SCHEMBL10751104 0.71 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL10751196 0.71 ALDH1A1 (0.50) ALDH1A1LMNASPRPOLBNPC1
SCHEMBL10755186 0.71 MAPT (0.49) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL10755526 0.69 MAPT (0.46) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL10754025 0.69 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2ARXFP1

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