SCHEMBL8014194

SCHEMBL8014194

O=[C]/C(=C\c1ccccn1)Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
LIN28A Q9H9Z2 1/20 0.39
HKDC1 Q2TB90 1/20 0.38
FDPS P14324 2/20 0.37
PTPRA P18433 1/20 0.37
POLB P06746 1/20 0.37
IDO1 P14902 1/20 0.37
LMNA P02545 1/20 0.36
KCNA5 P22460 1/20 0.36

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
SCHEMBL7975704 0.84 RAB9A (0.42) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL6975413 0.77 GLS (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL6975408 0.77 GLS (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10403233 0.73 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL6958817 0.72 SMN1; SMN2 (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7664358 0.71 TDP1 (0.50) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL7664352 0.71 TDP1 (0.50) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL7965580 0.71 CYP1A2 (0.47) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL7668047 0.69 TDP1 (0.51) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL13516499 0.69 RAB9A (0.41) TDP1RAB9ANPC1SMN1; SMN2MAPT

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
US-6127389-A TREATMENT OF HYPERTENSION, RENAL DISEASES, HEART FAILURE, HYPERTENSION, MENIERE'S DISEASE, PERIPHERAL AND CEREBRAL CIRCULATORY DISORDERS, CLIMACTERIC DISTURBANCE, RETINOCHOROIDAL CIRCULATORY DISORDERS, MYOCARDIAL ISCHEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-03 US disclosed
US-6083959-A BRADYKININ ANTAGONISTS; FOR THE PREVENTION AND/OR THE TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 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
US-6015818-A TREATING KIDNEY, BRAIN, AND CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-18 US disclosed
EP-0900203-A1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed
EP-0879233-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-25 EP disclosed
WO-1997041104-A1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-06 WO disclosed
WO-1997028153-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-07 WO disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed