SCHEMBL20908480

SCHEMBL20908480

OCC1CCC(n2cnc3c2ncn2ccnc32)O1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ ALB P02768 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ P2RX2 Q9UBL9 1/20 0.42

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
SCHEMBL20908768 0.81 TAS1R3 (0.43) ALDH1A1LMNAALBMAPK1TAS1R3
SCHEMBL22219806 0.81 TAS1R3 (0.54) ALDH1A1LMNAALBMAPK1TAS1R3
SCHEMBL14628598 0.80 HIF1A (0.60) LMNA
SCHEMBL13058825 0.80 HIF1A (0.60) LMNA
SCHEMBL21423035 0.80 HIF1A (0.60) LMNA
SCHEMBL18519494 0.79 ALDH1A1 (0.62) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL24258545 0.79 TAS1R3 (0.51) TAS1R3TAS1R1P2RX3P2RX2
SCHEMBL21263875 0.79 TAS1R3 (0.48) LMNATAS1R3TAS1R1P2RX3P2RX2
SCHEMBL20908479 0.78 TAS1R3 (0.48) TAS1R3TAS1R1P2RX3P2RX2
Didanosine SCHEMBL29387997 0.76 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2

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-2019074887-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 — — WO disclosed
Send feedback