SCHEMBL27595103

SCHEMBL27595103

CCCCC(=O)Oc1cccc2c1Nc1ccccc1S2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ RECQL P46063 1/20 0.50
▸ GAA P10253 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ POLM Q9NP87 2/20 0.41
▸ POLK Q9UBT6 2/20 0.41
▸ POLL Q9UGP5 2/20 0.41
▸ POLH Q9Y253 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 3/20 0.40
▸ NOX1 Q9Y5S8 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL28776094 0.93 GAA (0.43) MEN1KMT2AKDM4ERECQLGAA
SCHEMBL27595098 0.88 MAPK1 (0.40) MEN1KMT2AKDM4ERECQLGAA
SCHEMBL27595216 0.87 GAA (0.45) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL27595100 0.86 HPGD (0.49) MEN1KMT2AGAAMAPTHPGD
SCHEMBL27326368 0.82 NOX1 (0.42) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL31087634 0.80 NOX1 (0.48) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL28656212 0.78 NOX1 (0.46) MEN1KMT2AGAAMAPTALOX15
SCHEMBL16756230 0.75 KDM4E (0.75) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL9483128 0.74 NOX1 (0.42) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL105775 0.72 NOX1 (0.53) MEN1KMT2AGAAMAPTALOX15

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
CN-100558365-C Conjugated antipsychotics and uses thereof TEL AVIA UNIVERSITY LTD (IL) 2009-11-11 — — CN disclosed
CN-101445494-A Conjugated psychotropic drugs and uses thereof UNIV RAMOT (IL) 2009-06-03 — — CN disclosed
CN-1596141-A Conjugated antipsychotics and uses thereof RAMOT AT TEL AVIA UNIVERSITY L (IL) 2005-03-16 — — CN disclosed
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