SCHEMBL9761683

SCHEMBL9761683

CC(CCl)C(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.61
ACE P12821 1/20 0.61
MAPT P10636 4/20 0.61
ALDH1A1 P00352 4/20 0.61
GAA P10253 2/20 0.61
ATM Q13315 2/20 0.61
LMNA P02545 2/20 0.61
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RXFP1 Q9HBX9 1/20 0.56
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
HSP90AA1 P07900 2/20 0.53
GPR55 Q9Y2T6 1/20 0.53
POLB P06746 1/20 0.52
HPGD P15428 3/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 3/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL1491201 0.84 HSD17B10 (0.69) MMEACEMAPTALDH1A1GAA
SCHEMBL10067641 0.84 MME (0.59) MMEACEMAPTALDH1A1GAA
SCHEMBL31290862 0.84 MME (0.59) MMEACEMAPTALDH1A1GAA
SCHEMBL12205972 0.83 MME (0.63) MMEACEMAPTALDH1A1GAA
SCHEMBL18456226 0.83 MME (0.63) MMEACEMAPTALDH1A1GAA
SCHEMBL4151615 0.83 MME (0.63) MMEACEMAPTALDH1A1GAA
SCHEMBL8027661 0.83 MME (0.63) MMEACEMAPTALDH1A1GAA
SCHEMBL27477626 0.82 MME (0.58) MMEACEMAPTALDH1A1GAA
Benzene SCHEMBL7271414 0.81 ACE (0.61) MMEACEMAPTALDH1A1GAA
SCHEMBL16452816 0.81 MME (0.61) MMEACEMAPTALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992453-A Certain thioimidate and amidine insecticides ICI AMERICAS INC. (US) 1991-02-12 US disclosed
US-4931448-A Thiomidate insecticides ICI AMERICAS INC. (US) 1990-06-05 US disclosed
EP-0317266-A2 Novel thioimidate and amidine insecticides ICI AMERICAS INC. (US) 1989-05-24 EP disclosed