SCHEMBL23637198

SCHEMBL23637198

CNc1c(N)cc(C(N)=O)cc1OCCCOC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRSS1 P07477 4/20 0.38
PTGER4 P35408 2/20 0.38
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
BPTF Q12830 1/20 0.37
SMPD1 P17405 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL21789934 0.87 TSHR (0.41) TSHRALDH1A1SMN1; SMN2PRSS1PTGER4
SCHEMBL28906815 0.82 PTGER4 (0.45) TSHRALDH1A1SMN1; SMN2PRSS1PTGER4
SCHEMBL29240411 0.81 TSHR (0.49) TSHRALDH1A1SMN1; SMN2NCOA1NCOA3
SCHEMBL30469473 0.81 TSHR (0.49) TSHRALDH1A1SMN1; SMN2NCOA1NCOA3
SCHEMBL24467600 0.81 HTT (0.43) TSHRALDH1A1SMN1; SMN2PRSS1PTGER4
SCHEMBL23637220 0.80 TSHR (0.42) TSHRALDH1A1SMN1; SMN2PTGER4NCOA1
SCHEMBL28606875 0.79 SMN1; SMN2 (0.44) TSHRALDH1A1SMN1; SMN2PTGER4NCOA1
SCHEMBL19451568 0.79 SMN1; SMN2 (0.44) TSHRALDH1A1SMN1; SMN2PTGER4NCOA1
SCHEMBL22121045 0.78 TSHR (0.43) TSHRALDH1A1SMN1; SMN2PRSS1NCOA1
SCHEMBL24611692 0.77 SMN1; SMN2 (0.49) TSHRALDH1A1SMN1; SMN2NCOA1NCOA3

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-3848366-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2021-07-14 EP disclosed