SCHEMBL25898622

SCHEMBL25898622

CCCCCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)c(Cl)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 5/20 0.43
▸ DDR1 Q08345 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SIK1 P57059 1/20 0.38
▸ SIK2 Q9H0K1 1/20 0.38
▸ SIK3 Q9Y2K2 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ GRM2 Q14416 6/20 0.37
▸ TNF P01375 2/20 0.36
▸ TLR8 Q9NR97 2/20 0.35

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
SCHEMBL25897832 0.89 TIPARP (0.49) TIPARPKDM4ELMNAMAPTHTT
SCHEMBL25898542 0.88 TIPARP (0.48) TIPARPKDM4ELMNAMAPTHTT
SCHEMBL26793446 0.86 TIPARP (0.49) TIPARPDDR1KDM4ELMNAMAPT
SCHEMBL25900117 0.81 TIPARP (0.46) TIPARPDDR1LMNASMN1; SMN2GRM2
SCHEMBL25898093 0.81 LMNA (0.41) TIPARPKDM4ELMNAMAPTHTT
SCHEMBL25897799 0.79 TIPARP (0.41) TIPARPDDR1KDM4ELMNAMAPT
SCHEMBL25899151 0.79 TIPARP (0.46) TIPARPKDM4ELMNAMAPTHTT
SCHEMBL25897757 0.78 SMN1; SMN2 (0.40) TIPARPKDM4ELMNAMAPTHTT
SCHEMBL25898391 0.78 TIPARP (0.46) TIPARPKDM4ESMN1; SMN2GRM2TNF
SCHEMBL25322207 0.78 TIPARP (0.74) TIPARP

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-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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