SCHEMBL30945503

SCHEMBL30945503

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.62
NPC1 O15118 10/20 0.62
MAPT P10636 5/20 0.62
GAA P10253 3/20 0.62
KDM4E B2RXH2 3/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ADORA1 P30542 1/20 0.51
DYRK1A Q13627 1/20 0.51
SLC27A1 Q6PCB7 1/20 0.48
MGLL Q99685 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL30945491 0.89 NPC1 (0.53) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL30945524 0.85 ALDH1A1 (0.64) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL30945533 0.85 RAB9A (0.57) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL30945515 0.82 KDM4E (0.62) RAB9ANPC1MAPTKDM4ENFKB1
SCHEMBL4922739 0.82 NPC1 (0.79) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL30945522 0.82 SCD (0.58) RAB9ANPC1MAPTGAANFKB1
SCHEMBL30945509 0.82 RAB9A (0.50) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL30945504 0.82 CSNK1D (0.58) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL30945530 0.82 NPC1 (0.61) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL30945502 0.80 ADORA1 (0.53) RAB9ANPC1MAPTGAAKDM4E

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