SCHEMBL29447077

SCHEMBL29447077

COc1cc(-n2nccn2)ccc1B(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.43
▸ TUBB4A P04350 4/20 0.36
▸ TUBB P07437 4/20 0.36
▸ TUBA3C P0DPH7 4/20 0.36
▸ TUBA1B P68363 4/20 0.36
▸ TUBA4A P68366 4/20 0.36
▸ TUBB4B P68371 4/20 0.36
▸ TUBB3 Q13509 4/20 0.36
▸ TUBB2A Q13885 4/20 0.36
▸ TUBB8 Q3ZCM7 4/20 0.36
▸ TUBA3E Q6PEY2 4/20 0.36
▸ TUBA1A Q71U36 4/20 0.36
▸ TUBA1C Q9BQE3 4/20 0.36
▸ TUBB6 Q9BUF5 4/20 0.36
▸ TUBB2B Q9BVA1 4/20 0.36
▸ TUBB1 Q9H4B7 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ORAI1 Q96D31 1/20 0.34
▸ ORAI2 Q96SN7 1/20 0.34
▸ ORAI3 Q9BRQ5 1/20 0.34

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
SCHEMBL22323949 1.00 ENPP2 (0.43) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16051759 0.78 NOTUM (0.42) ENPP2ALDH1A1HCRTR1HCRTR2MAPK1
SCHEMBL27899616 0.77 MEN1 (0.39) ALDH1A1HCRTR1HCRTR2CYP3A4
SCHEMBL22324015 0.77 — —
SCHEMBL29447124 0.77 — —
SCHEMBL22323697 0.76 ALDH1A1 (0.50) ALDH1A1HCRTR1HCRTR2CYP3A4
SCHEMBL15476234 0.75 CYP11B1 (0.55) ENPP2CYP3A4
SCHEMBL31605135 0.74 MAPK1 (0.43) ALDH1A1HCRTR1HCRTR2CYP3A4GAA
SCHEMBL25173988 0.72 ENPP2 (0.54) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22324022 0.72 HCRTR1 (0.36) ALDH1A1HCRTR1HCRTR2

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-114126613-A Methods and compositions for modulating splicing 斯基霍克疗法公司 2022-03-01 — — CN disclosed
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