SCHEMBL30250097

SCHEMBL30250097

O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.68
▸ ALPL P05186 5/20 0.67
▸ ALPI P09923 5/20 0.67
▸ ALPG P10696 4/20 0.67
▸ ABL1 P00519 1/20 0.67
▸ RIN1 Q13671 1/20 0.67
▸ MGLL Q99685 2/20 0.62
▸ ACKR3 P25106 3/20 0.55

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
SCHEMBL30250001 0.85 ALPL (0.63) KMT2AALPLALPIALPGABL1
SCHEMBL30250100 0.84 KMT2A (0.62) KMT2AALPLALPIALPGABL1
SCHEMBL30250253 0.77 KMT2A (0.55) KMT2AALPLALPIALPGABL1
SCHEMBL28778465 0.76 SMN1; SMN2 (0.61) KMT2AALPLALPIALPGABL1
SCHEMBL26082691 0.75 ACKR3 (0.59) KMT2AACKR3
SCHEMBL8094101 0.75 POLB (0.65) KMT2AACKR3
SCHEMBL30473391 0.74 KMT2A (0.53) KMT2AALPLALPIALPGABL1
SCHEMBL23109077 0.74 MGLL (0.64) KMT2AALPLALPIALPGMGLL
SCHEMBL17270257 0.73 ACKR3 (0.78) ACKR3
SCHEMBL4172844 0.72 LTA4H (0.65) KMT2A

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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