SCHEMBL30250100

SCHEMBL30250100

CCOc1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.62
▸ ALPL P05186 5/20 0.59
▸ ALPI P09923 5/20 0.59
▸ ALPG P10696 4/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ RIN1 Q13671 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SSTR5 P35346 1/20 0.50
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL30250253 0.94 KMT2A (0.55) KMT2AALPLALPIALPGABL1
SCHEMBL30250048 0.90 KMT2A (0.62) KMT2AALPLALPIALPGKDM4E
SCHEMBL30250144 0.89 KDM4E (0.53) KMT2AKDM4EALDH1A1TDP1SSTR5
SCHEMBL30250001 0.86 ALPL (0.63) KMT2AALPLALPIALPGABL1
SCHEMBL30250097 0.84 KMT2A (0.68) KMT2AALPLALPIALPGABL1
SCHEMBL30250070 0.76 KDM4E (0.66) KMT2AKDM4EALDH1A1TDP1SSTR5
SCHEMBL2423206 0.72 SSTR5 (0.58) KDM4EALDH1A1SSTR5
SCHEMBL3570256 0.72 SSTR5 (0.86) SSTR5
SCHEMBL28778465 0.72 SMN1; SMN2 (0.61) KMT2AALPLALPIALPGABL1
SCHEMBL29087391 0.71 KDM4E (0.68) KMT2AKDM4EALDH1A1TDP1SSTR5

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-4387735-A2 ANTIVIRAL DRUGS TARGETING THE N-TERMINAL DOMAIN (NTD) OF THE CORONAVIRUS SPIKE RECEPTOR BINDING DOMAIN (RBD) SOUTHWEST RESEARCH INSTITUTE (US) 2024-06-26 — — EP disclosed
WO-2023039330-A2 ANTIVIRAL DRUGS TARGETING THE N-TERMINAL DOMAIN (NTD) OF THE CORONAVIRUS SPIKE RECEPTOR BINDING DOMAIN (RBD) SOUTHWEST RESEARCH INSTITUTE (US) 2023-03-16 — — WO disclosed
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