SCHEMBL9768243

SCHEMBL9768243

CCSc1cnn(-c2ncc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
RECQL P46063 2/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL15639626 0.76 POLB (0.49) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL8802667 0.73 RECQL (0.41) KMT2AMEN1TDP1ALDH1A1POLB
SCHEMBL9208552 0.73 NPC1 (0.47) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL9768161 0.70 GABRB3 (0.57)
SCHEMBL9768245 0.70 POLB (0.46) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL7028559 0.69 GABRP (0.42) KMT2AMEN1TDP1ALDH1A1POLB
SCHEMBL12871486 0.67 GAA (0.47) KMT2AMEN1TDP1ALDH1A1POLB
SCHEMBL14996614 0.67 GAA (0.53) KMT2AMEN1TDP1ALDH1A1POLB
SCHEMBL9768229 0.66 GABRA2 (0.41)
SCHEMBL27341675 0.65 SMN1; SMN2 (0.49) KMT2AMEN1TDP1ALDH1A1POLB

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
US-5064844-A Miticides SCHERING AGROCHEMICALS LIMITED (GB) 1991-11-12 US disclosed