SCHEMBL6582849

SCHEMBL6582849

CNC(=O)[CH]Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
ALDH1A1 P00352 6/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 3/20 0.42
LMNA P02545 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP3A4 P08684 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BRD4 O60885 1/20 0.40
TOP1 P11387 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 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
SCHEMBL3462801 0.84 NPC1 (0.54) MAOBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7749862 0.81 KMT2A (0.46) MAOBALDH1A1CYP2C9HPGDSMN1; SMN2
SCHEMBL28622034 0.81 CYP2C19 (0.47) ALDH1A1CYP2C9HPGDSMN1; SMN2CYP2C19
SCHEMBL8701086 0.81 MAOB (0.50) MAOBALDH1A1CYP2C9HPGDSMN1; SMN2
SCHEMBL4073041 0.78 ALDH1A1 (0.62) ALDH1A1CYP2C9HPGDSMN1; SMN2CYP2C19
SCHEMBL4067815 0.78 TGM2 (0.55) MAOBALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL3345536 0.77 HTT (0.41) MAOBALDH1A1HPGDCYP2C19LMNA
SCHEMBL3244969 0.77 ALDH1A1 (0.48) MAOBALDH1A1CYP2C9HPGDSMN1; SMN2
SCHEMBL28020311 0.77 LMNA (0.43) ALDH1A1CYP2C9HPGDSMN1; SMN2CYP2C19
SCHEMBL27593026 0.77 KMT2A (0.57) ALDH1A1CYP2C9HPGDSMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO disclosed
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
CN-1043344-C New heterocyclic compounds KRONSEDER MASCHF KRONES (JP) 1999-05-12 CN 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