SCHEMBL3711571

SCHEMBL3711571

Cc1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 1.00
ALOX15 P16050 3/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
KDM4E B2RXH2 9/20 0.66
HPGD P15428 8/20 0.66
POLB P06746 1/20 0.65
FUBP1 Q96AE4 1/20 0.60
KLK7 P49862 1/20 0.60
GAA P10253 2/20 0.59
HSD17B10 Q99714 7/20 0.59
CASP1 P29466 4/20 0.59
USP2 O75604 2/20 0.59
CASP7 P55210 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
RECQL P46063 1/20 0.59
TP53 P04637 1/20 0.58
MAPT P10636 5/20 0.57

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
SCHEMBL1718168 0.81 ALDH1A1 (0.69) ALDH1A1ALOX15MEN1KMT2AL3MBTL1
SCHEMBL3278779 0.81 ALDH1A1 (0.81) ALDH1A1ALOX15MEN1KMT2AL3MBTL1
SCHEMBL31560205 0.80 ALDH1A1 (0.67) ALDH1A1ALOX15MEN1KMT2AL3MBTL1
SCHEMBL1718604 0.80 ALDH1A1 (1.00) ALDH1A1ALOX15MEN1KMT2AL3MBTL1
SCHEMBL14478852 0.79 TP53 (0.78) ALDH1A1ALOX15MEN1KMT2AL3MBTL1
SCHEMBL3278834 0.78 ALDH1A1 (0.64) ALDH1A1ALOX15MEN1KMT2AL3MBTL1
SCHEMBL1717963 0.76 ALDH1A1 (0.98) ALDH1A1ALOX15MEN1KMT2AKDM4E
SCHEMBL1720090 0.75 KDM4E (0.85) ALDH1A1ALOX15L3MBTL1KDM4EHPGD
SCHEMBL8291153 0.74 ALDH1A1 (0.64) ALDH1A1ALOX15MEN1KMT2AL3MBTL1
SCHEMBL1719135 0.74 KLK7 (0.68) ALDH1A1ALOX15MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO claimed
EP-2214485-A1 METHODS FOR TREATMENT OF CANCER Minerva Biotechnologies Corp. (US) 2010-08-11 EP disclosed
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO disclosed
WO-2009042815-A1 METHODS FOR TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORP. (US) 2009-04-02 WO disclosed