SCHEMBL22452910

SCHEMBL22452910

COC(=O)c1cc(OC)ccc1Nc1ccc(N(C)c2ccc(C3CCCCC3)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.41
MCHR1 Q99705 2/20 0.39
PROKR1 Q8TCW9 3/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SYK P43405 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36

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
SCHEMBL22453177 0.95 MAPT (0.39) DHODHMCHR1PROKR1MTNR1AMTNR1B
SCHEMBL22452865 0.93 DHODH (0.49) DHODHMAPTMEN1LMNAPOLB
SCHEMBL22452957 0.89 DHODH (0.42) DHODHMCHR1PROKR1MTNR1AMTNR1B
SCHEMBL22452600 0.89 MTNR1A (0.45) MCHR1MTNR1AMTNR1BMAPTMEN1
SCHEMBL22452453 0.88 MEN1 (0.48) DHODHMAPTMEN1LMNAPOLB
SCHEMBL22452914 0.87 AXL (0.39) DHODHMCHR1PROKR1MAPTMEN1
SCHEMBL22453437 0.86 MTNR1A (0.46) DHODHMTNR1AMTNR1BMAPTMEN1
SCHEMBL22452913 0.83 LIPE (0.44) DHODHMAPTMEN1LMNAPOLB
SCHEMBL22452735 0.82 DHODH (0.50) DHODHMAPTMEN1LMNAPOLB
SCHEMBL22452960 0.82 DHODH (0.45) DHODHMAPTMEN1LMNAPOLB

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