SCHEMBL30945530

SCHEMBL30945530

COc1cccc(NC(=O)N=C(N)Nc2nc3ccccc3s2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.61
RAB9A P51151 11/20 0.61
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
DHODH Q02127 1/20 0.61
MAPT P10636 4/20 0.54
KLF5 Q13887 1/20 0.53
SCD O00767 4/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
DUSP3 P51452 1/20 0.52

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
SCHEMBL30945515 0.87 KDM4E (0.62) NPC1RAB9AMEN1KMT2ADHODH
SCHEMBL30945522 0.86 SCD (0.58) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30945509 0.84 RAB9A (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30945504 0.84 CSNK1D (0.58) NPC1RAB9AMEN1KMT2ADHODH
SCHEMBL30945516 0.84 KDM4E (0.55) NPC1RAB9AMEN1KMT2ADHODH
SCHEMBL30945517 0.83 MAPT (0.52) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30945512 0.82 NPC1 (0.58) NPC1RAB9AMEN1KMT2ADHODH
SCHEMBL30945503 0.82 RAB9A (0.62) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30945518 0.80 MAPT (0.55) NPC1RAB9AMEN1KMT2ADHODH
SCHEMBL5027241 0.79 RAB9A (0.80) NPC1RAB9AMEN1KMT2ADHODH

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
EP-4638427-A1 AMIDINOUREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER Université Côte d'Azur (FR) 2025-10-29 EP disclosed
WO-2024133857-A1 AMIDINOUREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER UNIVERSITE COTE D'AZUR (FR) 2024-06-27 WO disclosed