SCHEMBL21849033

SCHEMBL21849033

CC(=O)NCc1ccc(Cc2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.66
TSHR P16473 2/20 0.65
NR1H4 Q96RI1 2/20 0.57
EPHX2 P34913 1/20 0.57
KMT2A Q03164 2/20 0.56
PPID Q08752 1/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 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
SCHEMBL3735282 0.94 PTPN1 (0.72) PTPN1TSHRNR1H4EPHX2KMT2A
SCHEMBL274924 0.89 TSHR (0.79) PTPN1TSHRNR1H4KMT2ANPC1
SCHEMBL2932295 0.84 PTPN1 (0.73) PTPN1TSHRNR1H4EPHX2KMT2A
SCHEMBL1253488 0.83 PTPN1 (0.62) PTPN1TSHRNR1H4EPHX2KMT2A
SCHEMBL13477518 0.83 KMT2A (0.61) PTPN1NR1H4EPHX2KMT2AHDAC1
SCHEMBL12133623 0.82 KMT2A (0.76) PTPN1KMT2AHDAC1HDAC6NPC1
SCHEMBL25598493 0.82 PTPN1 (0.66) PTPN1TSHRNR1H4EPHX2KMT2A
SCHEMBL8737881 0.81 TDP1 (0.77) TSHRNR1H4KMT2ANPC1L3MBTL1
SCHEMBL11244794 0.81 PTPN1 (0.70) PTPN1TSHRKMT2ANPC1L3MBTL1
SCHEMBL18471433 0.80 TSHR (0.67) PTPN1TSHRNR1H4KMT2AL3MBTL1

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
EP-3858836-A1 COMPOUND AND USE THEREOF Novagenesis Therapeutix (Suzhou) Limited (CN) 2021-08-04 EP disclosed
WO-2020062951-A1 COMPOUND AND USE THEREOF 愈磐生物科技(苏州)有限公司 2020-04-02 WO disclosed