Sugi Predict

Sugi Predict / Compounds / SCHEMBL7415820

SCHEMBL7415820

SCHEMBL7415820

CCc1ccc2[nH]c(C3CCCN3)nc2c1OC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 18/20 0.56
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ PARP2 Q9UGN5 4/20 0.39
▸ CDC7 O00311 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38

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
SCHEMBL7411360 0.80 PARP1 (0.56) PARP1PARP2
SCHEMBL6869338 0.79 PARP1 (0.69) PARP1PARP2PIM1
SCHEMBL7409889 0.75 PARP1 (0.50) PARP1SCN10APARP2CDC7PIM1
SCHEMBL633643 0.72 PARP1 (1.00) PARP1PARP2
SCHEMBL630259 0.72 PARP1 (1.00) PARP1PARP2
SCHEMBL7702651 0.72 PARP1 (1.00) PARP1PARP2
SCHEMBL7417446 0.71 HTR3A (0.40) PARP1
SCHEMBL7415578 0.70 PIM1 (0.40) PARP1PIM1
SCHEMBL7416833 0.70 PARP1 (0.57) PARP1PARP2
SCHEMBL630980 0.69 PARP1 (1.00) PARP1PARP2PIM1

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-1133477-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 — — EP disclosed
WO-2000032579-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-06-08 — — WO disclosed