SCHEMBL7475431

SCHEMBL7475431

COCCNc1nc2c(N)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.48
CHEK1 O14757 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
UTS2R Q9UKP6 2/20 0.40
BCHE P06276 1/20 0.40
TRPC3 Q13507 1/20 0.40
TRPC4 Q9UBN4 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
NCF1 P14598 1/20 0.39
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.39
PTGES O14684 1/20 0.38

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
SCHEMBL30132388 0.81 CHEK1 (0.47) RIPK1CHEK1POLBMEN1GAA
SCHEMBL7020507 0.81 CSNK2A2 (0.48) RIPK1CHEK1POLBMEN1GAA
SCHEMBL8492196 0.79 RIPK1 (0.46) RIPK1CHEK1POLBMEN1GAA
SCHEMBL7452468 0.78 TSHR (0.54) RIPK1CHEK1ALDH1A1KDM4EPOLB
SCHEMBL7963784 0.78 TSHR (0.48) RIPK1CHEK1KDM4EPOLBMEN1
SCHEMBL7477180 0.78 RIPK1 (0.46) RIPK1ALDH1A1KDM4EPOLBMEN1
SCHEMBL13049808 0.77 BCHE (0.66) ALDH1A1KDM4EPOLBMEN1GAA
SCHEMBL7485025 0.72 CHEK1 (0.57) CHEK1ALDH1A1POLBMEN1GAA
SCHEMBL7968176 0.70 GAA (0.44) RIPK1CHEK1ALDH1A1POLBMEN1
SCHEMBL1012546 0.70 LMNA (0.59) RIPK1CHEK1ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed