SCHEMBL9726529

SCHEMBL9726529

CCOc1ccc(CNc2cnn(C(C)C)c(=O)c2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.45
RXFP1 Q9HBX9 1/20 0.42
MAPK14 Q16539 2/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
PDE1A P54750 3/20 0.40
PDE1B Q01064 3/20 0.40
PDE1C Q14123 3/20 0.40
BPTF Q12830 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APAF1 O14727 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 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
SCHEMBL9726814 0.88 PDE9A (0.57) PDE9AMAPK14RAB9ASMN1; SMN2NPC1
SCHEMBL10601786 0.86 BPTF (0.53) PDE9ARXFP1TP53RAB9ASMN1; SMN2
SCHEMBL9726652 0.77 THRB (0.39) PDE9ASMN1; SMN2PDE1APDE1BPDE1C
SCHEMBL9726516 0.76 PDE9A (0.56) PDE9APDE1APDE1BPDE1CBPTF
SCHEMBL9726564 0.75 PDE9A (0.58) PDE9APDE1APDE1BPDE1CBPTF
SCHEMBL10601720 0.75 PDE9A (0.61) PDE9ATP53RAB9ASMN1; SMN2NPC1
SCHEMBL9726558 0.75 PDE9A (0.49) PDE9ASMN1; SMN2PDE1APDE1BPDE1C
SCHEMBL9726473 0.74 PDE9A (0.54) PDE9APDE1APDE1BPDE1CBPTF
SCHEMBL9726528 0.74 BRD4 (0.52) PDE9APDE1APDE1BPDE1CBPTF
SCHEMBL9726477 0.74 PDE9A (0.48) PDE9ASMN1; SMN2PDE1APDE1BPDE1C

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-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed