SCHEMBL7975656

SCHEMBL7975656

C=C(c1ccc2ccccc2n1)N(C[C]=O)C(=O)/C=C/c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HPGD P15428 1/20 0.42
MGAM O43451 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CNR2 P34972 2/20 0.39
GAA P10253 4/20 0.39

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
SCHEMBL7978734 0.81 NPC1 (0.52) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7749651 0.75 NPC1 (0.53) MAPTALDH1A1KMT2AHDAC8HDAC3
SCHEMBL7749657 0.75 NPC1 (0.53) MAPTALDH1A1KMT2AHDAC8HDAC3
SCHEMBL7981594 0.75 ALDH1A1 (0.41) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7748090 0.73 NPC1 (0.54) MAPTALDH1A1HDAC8HDAC3HDAC4
SCHEMBL7748041 0.73 NPC1 (0.50) MAPTALDH1A1HDAC8HDAC3HDAC4
SCHEMBL7748084 0.73 NPC1 (0.54) MAPTALDH1A1HDAC8HDAC3HDAC4
SCHEMBL7748039 0.73 NPC1 (0.50) MAPTALDH1A1HDAC8HDAC3HDAC4
SCHEMBL10275352 0.72 MGAM (0.59) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL29060802 0.72 HDAC8 (0.62) KDM4EMAPTALDH1A1MEN1KMT2A

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-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed