SCHEMBL6554308

SCHEMBL6554308

O=c1[nH]c2ccc(CCCCCl)cc2c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.55
TNKS O95271 2/20 0.49
PARP15 Q460N3 2/20 0.49
TNKS2 Q9H2K2 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
GPR3 P46089 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BRD4 O60885 8/20 0.45
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP12 Q9H0J9 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PARP4 Q9UKK3 1/20 0.44

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
SCHEMBL6405478 0.84 PARP1 (0.54) PARP1TNKSPARP15TNKS2KDM4E
SCHEMBL861749 0.74 PARP1 (0.59) PARP1TNKSPARP15TNKS2KDM4E
SCHEMBL20227575 0.72 SIRT1 (0.47) PARP1KDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL6555513 0.72 PARP1 (0.59) PARP1TNKSPARP15TNKS2KDM4E
SCHEMBL29204435 0.72 PARP1 (0.64) PARP1TNKSPARP15TNKS2KDM4E
SCHEMBL20227724 0.71 CTSV (0.51) PARP1KDM4EALDH1A1HSD17B10BRD4
SCHEMBL12795339 0.71 KDM4E (0.55) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL6555511 0.71 PARP1 (0.54) PARP1KDM4EMEN1ALDH1A1LMNA
SCHEMBL7028562 0.71 CA12 (0.47) PARP1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2215587 0.70 AHR (0.48) PARP1KDM4EMEN1ALDH1A1GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 WO disclosed