SCHEMBL8593602

SCHEMBL8593602

O=C(CI)OCc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 1/20 0.48
GSK3B P49841 1/20 0.47
MMP1 P03956 1/20 0.46
IDO1 P14902 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
MAPK1 P28482 1/20 0.44
MAOB P27338 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
SCHEMBL19020082 0.84 MAPT (0.55) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL28124128 0.81 MAPT (0.52) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL4413332 0.80 ALDH1A1 (0.68) KMT2AALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL22279481 0.79 ALDH1A1 (0.53) KMT2AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL10297492 0.79 ALDH1A1 (0.43) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL27957862 0.79 KMT2A (0.54) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL24242024 0.78 KMT2A (0.52) KMT2AKDM4EMAPTALDH1A1HPGD
Butane SCHEMBL14935067 0.78 POLB (0.54) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL8645215 0.78 ALDH1A1 (0.54) KMT2AALDH1A1SMN1; SMN2MMP1IDO1
SCHEMBL7565035 0.78 MAPT (0.57) KMT2AKDM4EMAPTALDH1A1HPGD

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
JP-10007619-A None JP disclosed
JP-H107619-A IODOACETATES AND ANTIBACTERIAL AND ANTIFUNGAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 1998-01-13 JP disclosed