SCHEMBL7525010

SCHEMBL7525010

O=C(Cl)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
MITF O75030 1/20 0.69
POLB P06746 1/20 0.69
MAPK1 P28482 1/20 0.69
HTT P42858 1/20 0.69
MAPT P10636 3/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 1/20 0.57
EPHX2 P34913 1/20 0.57
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56

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
SCHEMBL6392968 0.86 MITF (0.69) ALDH1A1MITFPOLBMAPK1HTT
SCHEMBL22588908 0.84 CA12 (0.72) ALDH1A1MITFPOLBMAPK1HTT
SCHEMBL4292376 0.83 GPR35 (0.67) ALDH1A1MITFPOLBMAPK1HTT
SCHEMBL4089354 0.83 MITF (0.65) ALDH1A1MITFPOLBMAPK1HTT
SCHEMBL12888865 0.83 MAPK1 (0.65) ALDH1A1MITFPOLBMAPK1HTT
SCHEMBL22543145 0.81 NR1H4 (0.78) ALDH1A1MITFPOLBMAPK1HTT
SCHEMBL11161409 0.79 GPR35 (0.58) ALDH1A1POLBHTTMAPTRAB9A
SCHEMBL22732031 0.79 TGM2 (0.74) ALDH1A1MITFPOLBMAPK1HTT
SCHEMBL11748157 0.79 MTNR1B (0.68) ALDH1A1MITFPOLBMAPK1HTT
SCHEMBL7932214 0.79 ALDH1A1 (0.73) ALDH1A1MITFPOLBMAPK1HTT

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
EP-1183246-A1 TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2002-03-06 EP disclosed
WO-2000071527-A1 TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-11-30 WO disclosed