SCHEMBL27150657

SCHEMBL27150657

CCCCCCCCCCCCCCCCNCCn1ccnc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.69
QPCT Q16769 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PRKCI P41743 1/20 0.41
LMNA P02545 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
SCHEMBL28183410 1.00 TBXAS1 (0.69) TBXAS1QPCTSMN1; SMN2HTTMAPK1
SCHEMBL23746470 0.93 TBXAS1 (0.74) TBXAS1QPCTSMN1; SMN2HTTMAPK1
SCHEMBL28712305 0.93 TBXAS1 (0.74) TBXAS1QPCTSMN1; SMN2HTTMAPK1
SCHEMBL28720416 0.93 TBXAS1 (0.74) TBXAS1QPCTSMN1; SMN2HTTMAPK1
SCHEMBL16299531 0.92 TBXAS1 (0.71) TBXAS1QPCTSMN1; SMN2HTTMAPK1
SCHEMBL29109593 0.88 TBXAS1 (0.71) TBXAS1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL28286843 0.86 TBXAS1 (0.68) TBXAS1QPCTSMN1; SMN2HTTMAPK1
SCHEMBL10903412 0.83 TBXAS1 (0.58) TBXAS1QPCTSMN1; SMN2HTTMAPK1
SCHEMBL13256613 0.83 QPCT (0.65) TBXAS1QPCTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4059134 0.82 TBXAS1 (1.00) TBXAS1QPCTPRKCILMNA

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
US-20240066072-A1 CLOSTRODIOIDES DIFFICILE TREATMENT THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-02-29 US disclosed