SCHEMBL21394621

SCHEMBL21394621

Cn1cc(C(=O)Nc2nnc(Cc3ccc(F)c(Cl)c3)s2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
POLB P06746 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CFTR P13569 1/20 0.45
PTPN1 P18031 1/20 0.44

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
SCHEMBL21394536 0.87 DGAT1 (0.56) RXFP1L3MBTL1KMT2AMEN1POLB
SCHEMBL21394794 0.86 DGAT1 (0.54) RXFP1L3MBTL1KMT2AMEN1POLB
SCHEMBL21394531 0.85 MEN1 (0.58) RXFP1KMT2AMEN1POLBGAA
SCHEMBL22479682 0.84 LMNA (0.59) RXFP1L3MBTL1KMT2AMEN1POLB
SCHEMBL29357123 0.79 MAOB (0.42) KMT2AMEN1CYP3A4NPC1RAB9A
SCHEMBL21394761 0.79 MAOB (0.42) KMT2AMEN1CYP3A4NPC1RAB9A
SCHEMBL3467629 0.72 L3MBTL1 (0.71) RXFP1L3MBTL1KMT2AMEN1POLB
SCHEMBL21395161 0.70 LMNA (0.59) L3MBTL1KMT2AMEN1POLBNPC1
SCHEMBL22479582 0.70 MEN1 (0.46) KMT2AMEN1CYP3A4NPC1RAB9A
SCHEMBL14109415 0.70 GPR52 (0.48) POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed