SCHEMBL17833424

SCHEMBL17833424

O=C(Nc1ccc(COc2ccccc2)cc1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
RXFP1 Q9HBX9 2/20 1.00
LMNA P02545 1/20 1.00
NPC1 O15118 6/20 0.82
RAB9A P51151 6/20 0.82
SMN1; SMN2 Q16637 2/20 0.72
HDAC1 Q13547 1/20 0.66
HDAC2 Q92769 1/20 0.66
POLB P06746 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
ALDH1A1 P00352 2/20 0.63
MAPT P10636 1/20 0.63
BCL2L1 Q07817 1/20 0.62
MCL1 Q07820 1/20 0.62
RECQL P46063 1/20 0.61
NR4A2 P43354 1/20 0.61
CASP3 P42574 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
TAAR1 Q96RJ0 1/20 0.61

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
SCHEMBL22192264 0.87 RAB9A (0.94) MEN1KMT2ARXFP1LMNANPC1
SCHEMBL4964241 0.84 NPC1 (1.00) MEN1KMT2ARXFP1LMNANPC1
SCHEMBL13393187 0.83 RAB9A (0.86) MEN1KMT2ARXFP1LMNANPC1
SCHEMBL21370445 0.83 NR1H4 (0.82) MEN1KMT2ARXFP1LMNANPC1
SCHEMBL11879987 0.82 RAB9A (0.84) MEN1KMT2ARXFP1LMNANPC1
SCHEMBL12020864 0.82 MEN1 (0.70) MEN1KMT2ARXFP1LMNANPC1
SCHEMBL12310177 0.81 RAB9A (0.73) MEN1KMT2ARXFP1LMNANPC1
SCHEMBL12044019 0.81 NPC1 (0.82) MEN1KMT2ARXFP1LMNANPC1
SCHEMBL15821075 0.81 SMPD1 (0.69) MEN1KMT2ARXFP1LMNANPC1
SCHEMBL19831608 0.80 HDAC1 (0.75) MEN1KMT2ARXFP1LMNANPC1

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
US-20160171150-A1 Chemical Modulators of Pro-Apoptotic BAX and BCL-2 Polypeptides DANA-FARBER CANCER INSTITUTE, INC. 2016-06-16 US disclosed