SCHEMBL12796754

SCHEMBL12796754

Cc1ccc2c(c1)nc(C(F)(F)F)n2C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ACSS2 Q9NR19 2/20 0.43
MGLL Q99685 1/20 0.41
NR1I2 O75469 1/20 0.38
EGFR P00533 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS2 P35354 1/20 0.38
OPRD1 P41143 1/20 0.38
PDE4D Q08499 1/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
NLRP3 Q96P20 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL18708430 0.89 KMT2A (0.44) KMT2AACSS2MGLLNR1I2EGFR
SCHEMBL21017338 0.89 KMT2A (0.48) KMT2AACSS2MGLLNR1I2EGFR
SCHEMBL10238003 0.83 KMT2A (0.52) KMT2AACSS2MGLLADRA2AADORA3
SCHEMBL10239606 0.82 KMT2A (0.51) KMT2AMGLLHSD17B10KDM4EMEN1
SCHEMBL13057629 0.81 KMT2A (0.49) KMT2AMGLLKDM4ELMNATSHR
SCHEMBL13358852 0.81 KMT2A (0.50) KMT2AACSS2MGLLHSD17B10KDM4E
SCHEMBL10238004 0.80 KMT2A (0.52) KMT2AACSS2MGLLLMNAPARP1
SCHEMBL13599977 0.79 LMNA (0.53) KMT2AHSD17B10KDM4ELMNATSHR
SCHEMBL13058152 0.79 KMT2A (0.66) KMT2AMGLLLMNATSHRPARP1
SCHEMBL2024958 0.79 KMT2A (0.66) KMT2AMGLLKDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939674-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2015-11-04 EP disclosed
EP-2311455-B1 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS INC (US) 2015-07-15 EP disclosed
EP-2311455-A1 Compounds for nonsense suppression, and methods for their use PTC Therapeutics, Inc. (US) 2011-04-20 EP disclosed
EP-2301538-A1 Compounds for nonsense suppression, and methods for their use PTC Therapeutics, Inc. (US) 2011-03-30 EP disclosed
EP-2301536-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-03-30 EP disclosed