SCHEMBL634715

SCHEMBL634715

Cc1c(-c2ccc3c(C(N)=O)cccc3c2C)ccc2c(C(N)=O)cccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
PARP1 P09874 3/20 0.41
BTK Q06187 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCAT2 O15382 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
METAP2 P50579 1/20 0.37

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
SCHEMBL23909581 0.82 KMT2A (0.47) KMT2AATMKDM4EALDH1A1GAA
SCHEMBL6135290 0.82 ATM (0.61) KMT2AATMKDM4EALDH1A1GAA
SCHEMBL634722 0.80 ATM (0.55) KMT2AATMKDM4EALDH1A1GAA
SCHEMBL11607263 0.79 CYP1A2 (0.54) KMT2AATMKDM4EALDH1A1GAA
SCHEMBL30471810 0.78 BCAT2 (0.52) KDM4EALDH1A1GAAPARP1BTK
SCHEMBL39964 0.75 KDM4E (0.52) KDM4EALDH1A1GAAPARP1BCAT2
SCHEMBL7916759 0.74 NR4A1 (0.59) KMT2AATMKDM4EALDH1A1GAA
SCHEMBL353488 0.74 BCAT2 (0.53) KMT2AATMKDM4EALDH1A1GAA
SCHEMBL23909595 0.74 KMT2A (0.42) KMT2AATMKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL4562961 0.73 PARP1 (0.50) KDM4EALDH1A1GAAPARP1BCAT2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418942-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS Sanford-Burnham Medical Research Institute (US) 2012-02-22 EP disclosed