SCHEMBL7051850

SCHEMBL7051850

CCn1cc(C(=O)NCc2ccccc2Cl)c(=O)c2cccc(C(F)(F)F)c21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
P2RX7 Q99572 1/20 0.53
KMT2A Q03164 3/20 0.48
TP53 P04637 4/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
S1PR1 P21453 3/20 0.46
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.44
S1PR3 Q99500 1/20 0.44

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
SCHEMBL7056215 0.90 PDE4A (0.49) PDE10ASMN1; SMN2P2RX7KMT2APOLB
SCHEMBL7055640 0.87 LMNA (0.58) PDE10ASMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL7055521 0.82 PDE4A (0.53) PDE10AKMT2APOLBALDH1A1LMNA
SCHEMBL7058533 0.82 ALDH1A1 (0.55) PDE10ASMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL7051834 0.80 PDE4A (0.65) KMT2APOLBALDH1A1LMNAMEN1
SCHEMBL7051848 0.80 PDE4A (0.67) PDE10ASMN1; SMN2TP53POLBALDH1A1
SCHEMBL7056153 0.80 ALDH1A1 (0.56) PDE10ASMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL7054222 0.78 PDE4A (0.58) SMN1; SMN2KMT2APOLBALDH1A1LMNA
SCHEMBL11800723 0.77 CHRM1 (0.48) KMT2APOLBALDH1A1LMNAMEN1
SCHEMBL7050618 0.76 PDE4A (0.49) PDE10ASMN1; SMN2KMT2AALDH1A1MEN1

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-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP claimed