SCHEMBL10652551

SCHEMBL10652551

Cc1cc(=O)n(CCN2CCCC2)nc1-c1ccc(-n2cccn2)s1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 7/20 0.35
▸ SIGMAR1 Q99720 8/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ HTR2C P28335 1/20 0.30

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
SCHEMBL10648014 0.70 PDE3B (0.41) —
SCHEMBL10646469 0.66 POLB (0.35) KMT2AL3MBTL1
SCHEMBL11115052 0.63 SIGMAR1 (0.41) SIGMAR1MEN1KMT2A
SCHEMBL18331573 0.60 NOTUM (0.40) MEN1KMT2A
SCHEMBL30747594 0.60 ADORA2A (0.33) —
SCHEMBL10648447 0.58 CYP1A2 (0.41) MEN1KMT2A
SCHEMBL10649242 0.58 TSHR (0.40) —
SCHEMBL18914239 0.58 PLD1 (0.51) SIGMAR1L3MBTL1
SCHEMBL3939957 0.58 SIGMAR1 (0.52) SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL10648079 0.57 TSHR (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128502-B1 SUBSTITUTED 6-(THIEN-2-YL)-3(2H)-PYRIDAZINONES AND PROCESSES FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1988-08-31 — — EP disclosed
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