SCHEMBL30933151

SCHEMBL30933151

CSc1cccc(NC(N)=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
POLB P06746 2/20 0.68
TP53 P04637 2/20 0.68
MAPK1 P28482 1/20 0.68
HSD17B10 Q99714 1/20 0.68
KDM4E B2RXH2 1/20 0.61
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 2/20 0.57
HPGD P15428 2/20 0.57
RECQL P46063 1/20 0.57
GRM4 Q14833 1/20 0.57

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
SCHEMBL356986 1.00 MAPT (0.68) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5208634 0.84 MAPT (0.70) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL4888533 0.84 MAPT (0.75) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL17084253 0.84 MEN1 (0.87) MAPTMEN1KMT2ASMN1; SMN2POLB
Acetic Acid SCHEMBL27563712 0.82 MEN1 (0.63) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL6138093 0.82 MAPT (0.58) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL651726 0.82 MAPT (0.64) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL11777113 0.82 MAPT (0.68) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL24756290 0.81 MAPT (0.76) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL14820333 0.81 SMN1; SMN2 (0.66) MAPTMEN1KMT2ASMN1; SMN2POLB

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
CN-117813293-A Urea derivatives useful for the treatment of cancer 蝎子疗法股份有限公司 2024-04-02 CN disclosed