SCHEMBL22453073

SCHEMBL22453073

O=C(O)c1cccnc1Nc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CCR2 P41597 1/20 0.41
SERPINE1 P05121 2/20 0.41
GRM4 Q14833 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 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
SCHEMBL22452726 0.91 DHODH (0.45) DHODHRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22453641 0.89 DHODH (0.55) DHODHRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22452713 0.89 DHODH (0.43) DHODHRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22453248 0.88 DHODH (0.49) DHODHRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22452725 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1LMNACCR2
SCHEMBL22453640 0.86 DHODH (0.57) DHODHRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22452983 0.86 MEN1 (0.48) MEN1KMT2AALDH1A1LMNACCR2
SCHEMBL22452804 0.84 SERPINE1 (0.57) DHODHRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22453002 0.84 DHODH (0.50) DHODHRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22453313 0.83 DHODH (0.48) DHODHRAB9AMEN1KMT2ASMN1; SMN2

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