SCHEMBL11528409

SCHEMBL11528409

C=C(C)C(=O)Nc1c(C)cc(C)n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 2/20 0.34
MAPT P10636 1/20 0.33
COPS5 Q92905 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 2/20 0.33
RECQL P46063 2/20 0.33
BLM P54132 2/20 0.33
GAA P10253 1/20 0.33
JAK3 P52333 1/20 0.32
BAZ1A Q9NRL2 1/20 0.32
RIPK1 Q13546 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL11527852 0.76 EZH2 (0.41) ALDH1A1L3MBTL1KDM4EGAAHPGD
SCHEMBL1025172 0.74 ALDH1A1 (0.66) ALDH1A1TDP1L3MBTL1MAPTPOLB
SCHEMBL27780197 0.73 ALDH1A1 (0.48) ALDH1A1TDP1L3MBTL1KDM4ERXFP1
SCHEMBL11170777 0.69 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1RXFP1MAPT
SCHEMBL24316347 0.68 RXFP1 (0.40) ALDH1A1TDP1L3MBTL1KDM4ERXFP1
SCHEMBL11531963 0.66 TSHR (0.33) ALDH1A1L3MBTL1KDM4EGAALMNA
SCHEMBL2724245 0.65 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1KDM4ERXFP1
SCHEMBL2723974 0.65 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1RXFP1MAPT
SCHEMBL17980826 0.64 KDM4E (0.42) ALDH1A1L3MBTL1KDM4EMAPTNPC1
SCHEMBL21955382 0.64 KDM4E (0.42) ALDH1A1L3MBTL1KDM4EMAPTNPC1

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
US-4159202-A PHOTOCOPYING HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed
US-4145430-A BETA-LACTAM COMPOUNDS, PREPARATION AND USE BEECHAM GROUP LIMITED (GB) 1979-03-20 US disclosed