SCHEMBL13467412

SCHEMBL13467412

OC[C@@H]1CC[C@H](n2cnc3c(NCc4ccc(OC(F)(F)F)cc4)ncnc32)O1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR2F2 P24468 2/20 0.55
▸ SLC29A1 Q99808 4/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PAX8 Q06710 1/20 0.48
▸ ABL1 P00519 2/20 0.47
▸ RIN1 Q13671 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL23637142 0.88 ADORA1 (0.51) SLC29A1NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL18696325 0.88 ADORA1 (0.51) SLC29A1NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL13467551 0.86 NR2F2 (0.58) NR2F2SLC29A1NPC1RAB9ASMN1; SMN2
SCHEMBL13467417 0.85 NR2F2 (0.57) NR2F2SLC29A1NPC1RAB9ASMN1; SMN2
SCHEMBL13467655 0.85 NPC1 (0.66) NR2F2SLC29A1NPC1RAB9ASMN1; SMN2
SCHEMBL17825976 0.81 SLC29A1 (0.74) SLC29A1TP53ADORA3TDP1
SCHEMBL20626401 0.81 SLC29A1 (0.74) SLC29A1TP53ADORA3TDP1
SCHEMBL20626400 0.81 SLC29A1 (0.74) SLC29A1TP53ADORA3TDP1
SCHEMBL640373 0.81 SLC29A1 (0.74) SLC29A1TP53ADORA3TDP1
SCHEMBL19583087 0.81 SLC29A1 (0.74) SLC29A1TP53ADORA3TDP1

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-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 — — EP disclosed
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