SCHEMBL23977140

SCHEMBL23977140

NCC(=O)Nc1cc(NC(=O)CN)cc(NC(=O)CN)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.57
CA1 P00915 10/20 0.53
CA2 P00918 10/20 0.53
LMNA P02545 1/20 0.50
TAAR1 Q96RJ0 1/20 0.46
LTA4H P09960 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10945113 0.87 KMT2A (0.54) TERTPOLBKMT2A
SCHEMBL28240986 0.84 CA1 (0.49) TERTCA1CA2LMNATAAR1
Hydrochloric Acid SCHEMBL19747848 0.84 CA1 (0.67) TERTCA1CA2LMNAPOLB
SCHEMBL14462109 0.84 ACP1 (0.58) TERTCA1CA2POLBKMT2A
SCHEMBL1808155 0.83 GAA (0.56) TERTCA1CA2POLBKMT2A
SCHEMBL10076296 0.81 TERT (0.46) TERTCA1CA2LMNATAAR1
SCHEMBL188327 0.78 LTA4H (0.64) CA1CA2TAAR1LTA4HCYP1A2
Hydrochloric Acid SCHEMBL3277457 0.78 LMNA (0.63) CA1CA2LMNA
SCHEMBL15215515 0.77 KMT2A (0.58) CA1CA2LMNACYP1A2CYP3A4
SCHEMBL3659521 0.77 CA1 (0.61) TERTCA1CA2TAAR1LTA4H

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
WO-2021220011-A1 ANTI-INFECTIVE BICYCLIC PEPTIDE CONJUGATES BICYCLETX LIMITED (GB) 2021-11-04 WO disclosed