SCHEMBL7749655

SCHEMBL7749655

CN(C(=O)c1cccc(N)c1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PBRM1 Q86U86 1/20 0.45
OPRD1 P41143 2/20 0.44
KCNH2 Q12809 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL7367970 0.84 TSHR (0.46) ALDH1A1TSHRSMN1; SMN2KDM4EHSD17B10
SCHEMBL6316045 0.83 TSHR (0.58) ALDH1A1TSHRSMN1; SMN2KDM4EHSD17B10
SCHEMBL13702353 0.81 HDAC8 (0.49) ALDH1A1TSHRSMN1; SMN2KDM4EHSD17B10
SCHEMBL5467206 0.80 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7747451 0.79 TP53 (0.61) ALDH1A1TSHRSMN1; SMN2KDM4EHTT
SCHEMBL13701758 0.78 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2KDM4EHSD17B10
SCHEMBL13702158 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ETHRBMEN1KMT2A
SCHEMBL6324478 0.77 MAOA (0.59) ALDH1A1PBRM1TSHRSMN1; SMN2KDM4E
SCHEMBL18765295 0.77 KDM4E (0.63) TSHRSMN1; SMN2KDM4EHSD17B10HTT
SCHEMBL8256934 0.77 KMT2A (0.50) PBRM1TSHRSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed