SCHEMBL25849810

SCHEMBL25849810

O=Cc1[nH]ccc1-c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
NOTUM Q6P988 1/20 0.34
ERN1 O75460 2/20 0.34
TNKS2 Q9H2K2 2/20 0.33
MAPT P10636 2/20 0.33
GUSB P08236 1/20 0.33
APEX1 P27695 1/20 0.33
IDO1 P14902 1/20 0.33
TNKS O95271 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 2/20 0.32

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
SCHEMBL1127261 0.75 MAPT (0.53) NOTUMMAPTMEN1KMT2ANPC1
SCHEMBL29139363 0.74 ERN1 (0.40) C1RNOTUMERN1GUSBAPEX1
SCHEMBL11441284 0.71 GABRA1 (0.41) NISCHALDH1A1
SCHEMBL30726718 0.70 MAPT (0.41) C1RCCNE2CCNE1CDK2MAPT
SCHEMBL2478500 0.70 MEN1 (0.52) ERN1MEN1KMT2ANPC1ALDH1A1
SCHEMBL29547174 0.69 ACHE (0.47) NOTUMMAPTIDO1DCUN1D1PTPRC
SCHEMBL197834 0.69 ACHE (0.47) NOTUMMAPTIDO1DCUN1D1PTPRC
Hydrogen Sulfide SCHEMBL10700223 0.67 ACHE (0.45) NOTUMMAPTIDO1DCUN1D1PTPRC
SCHEMBL30389980 0.67 PTPRC (0.48) NOTUMMAPTIDO1DCUN1D1PTPRC
SCHEMBL5706297 0.67 PTPRC (0.48) NOTUMMAPTIDO1DCUN1D1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3793990-B1 ANTIBACTERIAL COMPOUNDS INFEX THERAPEUTICS LTD (GB) 2023-07-19 EP disclosed