SCHEMBL12327211

SCHEMBL12327211

CNc1ccc(B(O)O)cc1C=N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.38
▸ ENPP2 Q13822 5/20 0.34
▸ CA2 P00918 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ LPL P06858 2/20 0.33
▸ LIPG Q9Y5X9 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 1/20 0.30
▸ TUBB4B P68371 1/20 0.30
▸ TUBB3 Q13509 1/20 0.30
▸ TUBB2A Q13885 1/20 0.30
▸ TUBB8 Q3ZCM7 1/20 0.30
▸ TUBA3E Q6PEY2 1/20 0.30
▸ TUBA1A Q71U36 1/20 0.30

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
SCHEMBL12327206 0.86 TTR (0.42) TTRENPP2CA2CA1LPL
SCHEMBL3781706 0.77 CA2 (0.41) TTRENPP2CA2CA1LPL
SCHEMBL17146976 0.73 BRD4 (0.35) BRD4CREBBP
SCHEMBL14413124 0.73 LMNA (0.37) BRD4CREBBPKDM4E
SCHEMBL14951292 0.73 APP (0.40) TTRENPP2CA2CA1LPL
SCHEMBL24873513 0.73 BRD4 (0.33) BRD4CREBBP
SCHEMBL3781842 0.72 PRKCI (0.50) TTRENPP2CA2CA1LPL
SCHEMBL19498505 0.72 TTR (0.41) TTRENPP2CA2CA1KDM4E
SCHEMBL16404877 0.72 HTT (0.40) BRD4CREBBPKDM4E
SCHEMBL13387238 0.72 BRD4 (0.34) BRD4CREBBPKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 — — EP disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 — — EP disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 — — WO disclosed
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