SCHEMBL13467551

SCHEMBL13467551

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR2F2 P24468 2/20 0.58
▸ SLC29A1 Q99808 4/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CCNB2 O95067 1/20 0.53
▸ CDK1 P06493 1/20 0.53
▸ CCNB1 P14635 1/20 0.53
▸ CCNB3 Q8WWL7 1/20 0.53
▸ ADORA3 P0DMS8 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ABL1 P00519 2/20 0.52
▸ RIN1 Q13671 2/20 0.52

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
SCHEMBL13467417 0.91 NR2F2 (0.57) NR2F2SLC29A1NPC1RAB9ASMN1; SMN2
SCHEMBL13467655 0.91 NPC1 (0.66) NR2F2SLC29A1NPC1RAB9ASMN1; SMN2
SCHEMBL13467412 0.86 NR2F2 (0.55) NR2F2SLC29A1NPC1RAB9ASMN1; SMN2
SCHEMBL24600710 0.84 ADORA3 (0.53) NR2F2SLC29A1NPC1RAB9ASMN1; SMN2
SCHEMBL2036287 0.83 ALDH1A1 (0.55) NR2F2ADORA3ABL1RIN1
SCHEMBL19582971 0.82 SLC29A1 (0.77) SLC29A1ADORA3TP53TDP1
SCHEMBL14047479 0.82 TP53 (0.65) NR2F2SLC29A1NPC1RAB9ASMN1; SMN2
SCHEMBL9589282 0.82 ALDH1A1 (0.54) ADORA3ABL1RIN1
SCHEMBL9589274 0.82 ALDH1A1 (0.54) ADORA3ABL1RIN1
SCHEMBL9587631 0.82 ALDH1A1 (0.54) ADORA3ABL1RIN1

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
Send feedback