SCHEMBL30858769

SCHEMBL30858769

O=C(NCc1ccccc1Cl)NCc1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 1.00
RAB9A P51151 1/20 1.00
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
CASR P41180 1/20 0.69
ALDH1A1 P00352 2/20 0.62
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.58
ANPEP P15144 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
SCHEMBL10263934 0.91 NPC1 (0.83) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL12851364 0.89 NPC1 (0.79) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL3561653 0.86 NPC1 (0.75) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL2430336 0.85 CASR (0.74) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL23805061 0.84 NPC1 (0.72) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL11589808 0.84 NPC1 (0.72) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL625881 0.84 NPC1 (0.72) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1433979 0.84 NPC1 (0.72) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2438274 0.83 CASR (1.00) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL8740727 0.82 NPC1 (0.70) NPC1RAB9AMEN1KMT2AALDH1A1

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
CN-117946033-A Preparation method for photo-promoted synthesis of urea compound 兰州大学 2024-04-30 CN claimed
CN-117946033-A Preparation method for photo-promoted synthesis of urea compound 兰州大学 2024-04-30 CN disclosed