SCHEMBL9943521

SCHEMBL9943521

N=C(c1ccc(F)cc1)c1ccc(OC(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.58
KMT2A Q03164 12/20 0.55
ATM Q13315 1/20 0.55
MEN1 O00255 4/20 0.53
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
PKM P14618 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
TMPRSS15 P98073 1/20 0.45
ELANE P08246 1/20 0.45

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
SCHEMBL2464842 0.90 KMT2A (0.65) PARP10KMT2AATMMEN1MAPT
SCHEMBL2834801 0.86 PARP10 (0.59) PARP10KMT2AATMMEN1MAPT
SCHEMBL11125622 0.85 KMT2A (0.59) PARP10KMT2AATMMEN1MAPT
SCHEMBL29009176 0.84 KMT2A (0.61) PARP10KMT2AATMMEN1MAPT
SCHEMBL2838573 0.84 KMT2A (0.61) PARP10KMT2AATMMEN1MAPT
SCHEMBL10794582 0.83 PARP10 (0.57) PARP10KMT2AATMMEN1MAPT
SCHEMBL9663679 0.82 PARP10 (0.81) PARP10KMT2AMEN1MAPTALDH1A1
SCHEMBL11124086 0.81 BCL2L1 (0.55) PARP10KMT2AATMMEN1MAPT
SCHEMBL8205435 0.80 PARP10 (0.78) PARP10KMT2AMEN1MAPTALDH1A1
SCHEMBL725405 0.80 PARP10 (0.77) PARP10KMT2AMEN1MAPTALDH1A1

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-2465847-B1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2016-10-12 EP disclosed
EP-2465847-A1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2012-06-20 EP disclosed