SCHEMBL22452453

SCHEMBL22452453

COc1ccc(Nc2ccc(N(C)c3ccc(C4CCCCC4)cn3)cc2)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
DHODH Q02127 10/20 0.47
KDM6B O15054 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
AKR1C3 P42330 4/20 0.43
AKR1C2 P52895 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
GFER P55789 1/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
ADORA1 P30542 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL22452865 0.95 DHODH (0.49) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453177 0.93 MAPT (0.39) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452722 0.89 MEN1 (0.56) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452910 0.88 DHODH (0.41) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452661 0.86 MEN1 (0.57) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452735 0.86 DHODH (0.50) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452732 0.85 DHODH (0.46) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452458 0.84 MEN1 (0.50) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452600 0.81 MTNR1A (0.45) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452455 0.81 MEN1 (0.55) MEN1LMNAKMT2APOLBMAPT

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 WO disclosed