SCHEMBL29566751

SCHEMBL29566751

CC1(Cl)C(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.68
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL29565975 0.93 PARP1 (0.59) PARP1LMNA
SCHEMBL25890319 0.90 PARP1 (0.70) PARP1LMNACYP3A4CYP2C9TSHR
SCHEMBL30132749 0.90 PARP1 (0.70) PARP1LMNACYP3A4CYP2C9TSHR
SCHEMBL29566443 0.89 PARP1 (0.68) PARP1
SCHEMBL29565339 0.89 PARP1 (0.70) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL24390012 0.89 PARP1 (0.70) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25890272 0.89 PARP1 (0.68) PARP1
SCHEMBL25890631 0.86 PARP1 (0.65) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL24390023 0.85 PARP1 (0.64) PARP1
SCHEMBL29566305 0.84 PARP1 (0.49) PARP1LMNACYP3A4CYP2C9TSHR

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
WO-2022090938-A1 PHTHALAZINONE DERIVATIVES USEFUL AS PARP INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-05-05 WO disclosed