SCHEMBL8442468

SCHEMBL8442468

COC(=O)c1cccc(-c2cccc3c2ccn3C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 4/20 0.64
AXL P30530 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
DGAT2 Q96PD7 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL19608485 0.78 ASH1L (1.00) ASH1LHSD11B1
SCHEMBL10154933 0.77 SCN9A (0.47) ASH1LNEK1HPGDNR4A2KDM4E
SCHEMBL16749656 0.76 CA12 (0.58) ASH1LAXLCA12CA1CA2
SCHEMBL7826657 0.76 NPC1 (0.53) ASH1LAXLDGAT2CA12CA1
SCHEMBL28755028 0.75 TSHR (0.60) ASH1LAXLCA12CA1CA2
SCHEMBL67941 0.74 CA12 (0.68) CA12CA1CA2CA9ERN1
SCHEMBL701556 0.74 NR4A2 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31607540 0.74 NR4A2 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Methane SCHEMBL28667111 0.74 TSHR (0.58) ASH1LAXLCA12CA1CA2
SCHEMBL7376923 0.73 HSD11B1 (0.67) ASH1LHSD11B1NPC1RAB9AHPGD

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
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed