SCHEMBL20573254

SCHEMBL20573254

O=C(O)NC1(F)C=CC=CC1c1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
HSD11B1 P28845 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CACNA1B Q00975 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL4743205 0.83 PTGS2 (0.33) KMT2ALMNAHSD11B1
SCHEMBL16417101 0.74 LMNA (0.41) LMNA
SCHEMBL2395249 0.69 PARP1 (0.38) KMT2APARP1OPRK1HSD11B1HPGD
SCHEMBL16599817 0.63 HTR2A (0.33) HDAC4LMNAHDAC6
SCHEMBL4831942 0.61 CCR2 (0.36) HDAC4PKMALDH1A1HSD11B1HPGD
SCHEMBL9851147 0.60 NPC1 (0.37) KMT2ANPC1ALDH1A1LMNAHSD11B1
SCHEMBL8952460 0.60 HDAC6 (0.50) ALDH1A1LMNAHSD11B1HDAC1HDAC6
SCHEMBL3048130 0.60 SMN1; SMN2 (0.51)
SCHEMBL8699921 0.60 CACNA1B (0.65) KMT2APKMCACNA1B
SCHEMBL28316797 0.60 KDM1A (0.46) HDAC4NPC1PKMOPRK1ALDH1A1

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-3029026-B1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG A ST CO LTD (KR) 2018-12-05 EP claimed