SCHEMBL22453437

SCHEMBL22453437

COC(=O)c1cc(OC)ccc1Nc1ccc(N(C)c2ccc(C3CCC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
AKR1C3 P42330 6/20 0.41
AKR1C2 P52895 6/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL22452600 0.97 MTNR1A (0.45) MTNR1AMTNR1BMEN1LMNAKMT2A
SCHEMBL22453405 0.92 MTNR1A (0.44) MTNR1AMTNR1BMEN1LMNAKMT2A
SCHEMBL22452661 0.92 MEN1 (0.57) MTNR1AMTNR1BMEN1LMNAKMT2A
SCHEMBL22453183 0.90 MTNR1A (0.43) MTNR1AMTNR1BMEN1LMNAKMT2A
SCHEMBL22452954 0.90 MTNR1A (0.43) MTNR1AMTNR1BMEN1LMNAKMT2A
SCHEMBL22452918 0.89 MTNR1A (0.42) MTNR1AMTNR1BMEN1LMNAKMT2A
SCHEMBL22453589 0.89 MTNR1A (0.42) MTNR1AMTNR1BMEN1LMNAKMT2A
SCHEMBL22452722 0.89 MEN1 (0.56) MTNR1AMTNR1BMEN1LMNAKMT2A
SCHEMBL22453438 0.86 MTNR1A (0.41) MTNR1AMTNR1BMAPTPOLBKDM4E
SCHEMBL22453177 0.86 MAPT (0.39) MTNR1AMTNR1BMEN1LMNAKMT2A

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