SCHEMBL21393836

SCHEMBL21393836

Cc1ncc(Br)c(C(=O)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 1/20 0.36
ASPH Q12797 2/20 0.35
KDM8 Q8N371 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
MEN1 O00255 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
PKM P14618 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PRNP P04156 1/20 0.32
PPARG P37231 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32

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
SCHEMBL31394019 0.81 KDM4E (0.44) KDM4EKMT2AHPGDALDH1A1HTT
SCHEMBL20187567 0.80 ATM (0.39) KDM4EKMT2AHPGDALDH1A1HTT
SCHEMBL29661969 0.79 KDM4E (0.34) KDM4EASPHKDM8ALDH1A1HCAR2
SCHEMBL20594415 0.79 KMT2A (0.43) KDM4EKMT2AASPHKDM8ALDH1A1
SCHEMBL20187507 0.79 KDM4E (0.34) KDM4EASPHKDM8ALDH1A1HCAR2
SCHEMBL23803677 0.79 CHEK1 (0.36) KDM4EKMT2AASPHKDM8ALDH1A1
SCHEMBL31331518 0.79 CHEK1 (0.36) KDM4EKMT2AASPHKDM8ALDH1A1
SCHEMBL29150280 0.78 KDM4E (0.46) KDM4EKMT2AHPGDALDH1A1HTT
SCHEMBL23088380 0.78 HTT (0.46) KDM4EKMT2AHPGDALDH1A1HTT
SCHEMBL23147036 0.77 KDM4E (0.44) KDM4EKMT2AHPGDALDH1A1HTT

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-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed