SCHEMBL21483552

SCHEMBL21483552

O=C(CCCl)Nc1ccccc1Br

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
LMNA P02545 2/20 0.60
KMT2A Q03164 8/20 0.57
MEN1 O00255 6/20 0.57
L3MBTL1 Q9Y468 5/20 0.55
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 3/20 0.54
TDP1 Q9NUW8 2/20 0.52
GRK2 P25098 1/20 0.52
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL28063097 0.86 MAPK1 (0.67) RAB9ALMNAKMT2AMEN1L3MBTL1
SCHEMBL1562128 0.85 ALDH1A1 (0.57) RAB9ALMNAKMT2AMEN1L3MBTL1
SCHEMBL24811439 0.84 RAB9A (0.62) RAB9ALMNAKMT2AMEN1L3MBTL1
SCHEMBL19897705 0.83 HDAC3 (0.52) RAB9ALMNAKMT2AL3MBTL1ALDH1A1
SCHEMBL8556893 0.80 KMT2A (0.77) RAB9AKMT2AMEN1POLBNPC1
SCHEMBL5429131 0.80 RAB9A (0.56) RAB9ALMNAKMT2AMEN1ALDH1A1
SCHEMBL5360905 0.79 L3MBTL1 (0.58) RAB9ALMNAKMT2AMEN1L3MBTL1
SCHEMBL15480414 0.79 HDAC1 (0.69) RAB9ALMNAKMT2AMEN1
SCHEMBL2675404 0.79 ALDH1A1 (0.68) RAB9AL3MBTL1ALDH1A1POLBTDP1
SCHEMBL1238330 0.79 HDAC3 (0.66) RAB9ALMNAL3MBTL1ALDH1A1MAPK1

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
WO-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE QURIENT CO., LTD. (KR) 2019-10-17 WO disclosed