SCHEMBL13655204

SCHEMBL13655204

NC1=NCC(c2ccccc2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.41
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRR1 P24046 1/20 0.38
SLC6A1 P30531 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
SLC6A12 P48065 1/20 0.38
SLC6A11 P48066 1/20 0.38
GABRA4 P48169 1/20 0.38
NOS2 P35228 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PRCP P42785 1/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL17887717 1.00 NOS1 (0.41) NOS1HDAC3HDAC1HDAC2HDAC8
SCHEMBL13655361 0.85 MAPT (0.43) NOS1HDAC3HDAC1HDAC2HDAC8
SCHEMBL13655362 0.82 CHRNB2 (0.51) MEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL315312 0.81 NOS1 (0.42) NOS1NOS2MEN1KMT2ANPC1
SCHEMBL13655212 0.73 NOS1 (0.38) NOS1NOS2
SCHEMBL13655085 0.71 MAPT (0.47) NOS2MEN1KMT2ANPC1KDM4E
Iodide SCHEMBL11583158 0.71 HDAC3 (0.40) NOS1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12932657 0.71 MAPT (0.46) NOS1MEN1KMT2AKDM4EGAA
SCHEMBL13655358 0.70 GRM5 (0.31)
SCHEMBL11082317 0.69 GABRP (0.44) NOS1GABRA1GABRR1GABRA5GABRB2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250277156-A1 USE AND METHOD INNOSPEC LIMITED (GB) 2025-09-04 US disclosed
US-20250270463-A1 USE AND METHOD INNOSPEC LIMITED (GB) 2025-08-28 US disclosed
EP-4514924-A1 USE AND METHOD Innospec Limited (GB) 2025-03-05 EP disclosed
EP-4514925-A1 USE AND METHOD Innospec Limited (GB) 2025-03-05 EP disclosed
CN-119563008-A Use and method 因诺斯佩克有限公司 2025-03-04 CN disclosed
WO-2023209369-A1 USE AND METHOD INNOSPEC LIMITED (GB) 2023-11-02 WO disclosed
WO-2023209370-A1 USE AND METHOD INNOSPEC LIMITED (GB) 2023-11-02 WO disclosed
WO-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed