SCHEMBL30299503

SCHEMBL30299503

C=C1C[C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 3/20 0.60
▸ DNPH1 O43598 1/20 0.60
▸ PRKAB2 O43741 1/20 0.60
▸ TRPM2 O94759 1/20 0.60
▸ LDHA P00338 1/20 0.60
▸ ADRB2 P07550 1/20 0.60
▸ FBP1 P09467 1/20 0.60
▸ SRC P12931 1/20 0.60
▸ ADORA1 P30542 1/20 0.60
▸ P2RY2 P41231 1/20 0.60
▸ PRKAG1 P54619 1/20 0.60
▸ PRKAA2 P54646 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ PRKAA1 Q13131 1/20 0.60
▸ PDE3A Q14432 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ TAS1R3 Q7RTX0 1/20 0.60
▸ TAS1R1 Q7RTX1 1/20 0.60
▸ P2RY11 Q96G91 1/20 0.60

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
SCHEMBL28344295 1.00 P2RY1 (0.60) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL20225019 0.81 P2RY1 (0.62) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL20959779 0.81 P2RY1 (0.62) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL285262 0.81 P2RY1 (0.62) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL20225051 0.81 P2RY1 (0.62) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL18837728 0.81 P2RY1 (0.62) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL23982296 0.80 P2RY1 (0.70) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL21417133 0.80 P2RY1 (0.70) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL284986 0.80 P2RY1 (0.70) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL20225034 0.80 P2RY1 (0.70) P2RY1DNPH1PRKAB2TRPM2LDHA

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
CN-110678729-B Catalyst for reversing formaldehyde adducts and crosslinking 豪夫迈·罗氏有限公司 2023-04-11 — — CN disclosed
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