SCHEMBL9414962

SCHEMBL9414962

O=c1[nH]nnc2ccc3cnncc3c12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 18/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL31749048 0.75 — —
SCHEMBL496459 0.75 — —
SCHEMBL11056586 0.67 PDE3B (0.42) HSD17B10
SCHEMBL22045587 0.63 KDM4E (0.34) ALDH1A1HSD17B10TDP1
SCHEMBL31686062 0.63 TYMS (0.32) TYMS
SCHEMBL17950745 0.63 PDPK1 (0.37) TYMSPARP1
SCHEMBL873756 0.63 PARP1 (0.54) TYMSPARP1TDP1
SCHEMBL874607 0.63 PARP1 (0.54) TYMSPARP1
SCHEMBL28960473 0.63 AXL (0.44) TYMSALDH1A1PARP1HSD17B10TDP1
SCHEMBL6610267 0.63 PARP1 (0.38) ALDH1A1PARP1HSD17B10TDP1KMT2A

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-0599152-A1 Triazinones and Triazinophthalazinones possessing antiasthmatic/antiallergic, positive inotropic and antihypertensive activities ASTA Medica Aktiengesellschaft (DE) 1994-06-01 — — EP disclosed
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