SCHEMBL370739

SCHEMBL370739

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(n3nc4c(C(N)=O)cccc4c3-c3ccccc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.46
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.42
USP30 Q70CQ3 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
HPGDS O60760 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R2 O00459 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3R5 Q8WYR1 1/20 0.40
PIK3R3 Q92569 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GBA1 P04062 1/20 0.40

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
SCHEMBL359223 0.95 PARP1 (0.49) PARP1GPR119HPGDSPIK3CDPIK3R2
SCHEMBL370599 0.91 PARP1 (0.46) PARP1HPGDUSP30HPGDS
SCHEMBL358653 0.89 PARP1 (0.47) PARP1HPGDRECQLGPR119
SCHEMBL360298 0.83 PARP1 (0.47) PARP1HPGDUSP30
SCHEMBL358670 0.82 PARP1 (0.52) PARP1GPR119
SCHEMBL359239 0.82 PARP1 (0.51) PARP1GPR119
SCHEMBL358333 0.81 PARP1 (0.48) PARP1
SCHEMBL359678 0.80 PARP1 (0.47) PARP1HPGDMEN1KMT2A
SCHEMBL368905 0.79 PARP1 (0.49) PARP1GPR119
SCHEMBL358330 0.79 PARP1 (0.47) PARP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO claimed
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO disclosed
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO disclosed