SCHEMBL29655147

SCHEMBL29655147

O=c1[nH]nc(Cc2cccc(Br)c2F)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.68
▸ PARP1 P09874 1/20 0.55
▸ LMNA P02545 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TSHR P16473 1/20 0.50

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
SCHEMBL19748630 1.00 AR (0.68) ARPARP1LMNAHTTNPSR1
SCHEMBL12955359 0.81 AR (1.00) ARPARP1LMNAHTTNPSR1
SCHEMBL29655150 0.81 AR (0.68) ARPARP1LMNAHTTNPSR1
SCHEMBL19748393 0.81 AR (0.68) ARPARP1LMNAHTTNPSR1
SCHEMBL29655013 0.81 AR (0.67) ARPARP1LMNAHTTNPSR1
SCHEMBL19748608 0.81 AR (0.67) ARPARP1LMNAHTTNPSR1
SCHEMBL12955377 0.79 AR (0.68) ARPARP1LMNAHTTNPSR1
SCHEMBL29655109 0.77 AR (0.71) ARPARP1LMNAHTTNPSR1
SCHEMBL19747503 0.77 AR (0.71) ARPARP1LMNAHTTNPSR1
SCHEMBL19748563 0.76 ENPP1 (0.64) ARPARP1LMNATSHR

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
CN-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 — — CN disclosed
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