SCHEMBL25309980

SCHEMBL25309980

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1C2CCC1CNC2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.47
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ AR P10275 3/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
Hydrochloric Acid SCHEMBL25309672 0.99 PARP1 (0.46) PARP1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL25307526 0.80 PARP1 (0.42) PARP1LMNATNKS
SCHEMBL25308646 0.80 PARP1 (0.42) PARP1LMNASMN1; SMN2ALDH1A1BRD4
SCHEMBL30510773 0.79 HTR1A (0.43) PARP1LMNABRD4TNKS
SCHEMBL25307141 0.79 HTR1A (0.43) PARP1LMNABRD4TNKS
SCHEMBL25310262 0.78 PARP1 (0.44) PARP1LMNATNKS
SCHEMBL30510768 0.78 PARP1 (0.38) PARP1LMNASMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL25310952 0.77 PARP1 (0.55) PARP1LMNASMN1; SMN2PRMT5KMT2A
SCHEMBL30510764 0.77 CHRM1 (0.49) PARP1TNKS
SCHEMBL30510776 0.77 PARP1 (0.39) PARP1LMNASMN1; SMN2ALDH1A1KMT2A

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-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — WO disclosed
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