SCHEMBL30945491

SCHEMBL30945491

NC(=NC(=O)Nc1ccc(I)cc1)Nc1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.53
RAB9A P51151 10/20 0.53
MAPT P10636 8/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
GAA P10253 3/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
ADORA1 P30542 2/20 0.50
ALDH1A1 P00352 1/20 0.50
DYRK1A Q13627 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
CSNK1D P48730 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL30945503 0.89 RAB9A (0.62) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30945509 0.88 RAB9A (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30945524 0.84 ALDH1A1 (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30945515 0.81 KDM4E (0.62) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30945504 0.81 CSNK1D (0.58) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30945522 0.81 SCD (0.58) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30945533 0.79 RAB9A (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30945528 0.79 GAA (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30945502 0.79 ADORA1 (0.53) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30945526 0.79 RAB9A (0.54) NPC1RAB9AMAPTMEN1KMT2A

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