SCHEMBL16167167

SCHEMBL16167167

O=C1c2ccccc2C(=O)c2c(F)coc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.53
▸ KMT2A Q03164 10/20 0.53
▸ MEN1 O00255 9/20 0.53
▸ ALDH1A1 P00352 7/20 0.53
▸ HTT P42858 6/20 0.53
▸ NPSR1 Q6W5P4 5/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ APAF1 O14727 4/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ CDC25B P30305 2/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ CDC25C P30307 1/20 0.41
▸ MPI P34949 1/20 0.41

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
SCHEMBL30601020 1.00 MAPT (0.53) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL25649956 0.77 ADORA2A (0.55) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL29530 0.76 KMT2A (0.55) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL16167389 0.74 NQO1 (0.53) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL3418850 0.72 MEN1 (0.55) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL14657071 0.72 MAPT (0.68) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL29362140 0.72 MAPT (0.68) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL27157150 0.72 MAPT (0.68) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL29892465 0.72 MAPT (0.68) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL6650819 0.68 MEN1 (0.55) MAPTKMT2AMEN1ALDH1A1HTT

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-107375260-B Novel compounds and compositions for targeting cancer stem cells 北京强新生物科技有限公司 2023-10-24 — — CN disclosed
EP-2983790-A2 METHODS FOR TREATING CANCER Boston Biomedical, Inc. (US) 2016-02-17 — — EP disclosed
WO-2014169078-A2 METHODS FOR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2014-10-16 — — WO disclosed
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