SCHEMBL25310442

SCHEMBL25310442

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ PARP1 P09874 2/20 0.56
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ TIPARP Q7Z3E1 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NAMPT P43490 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL30510763 1.00 KMT2A (0.57) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL25311971 0.97 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL30510757 0.97 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL30510755 0.91 PARP1 (0.53) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL25308758 0.91 PARP1 (0.53) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL25310786 0.88 TIPARP (0.53) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL30510774 0.88 TIPARP (0.53) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL25309030 0.86 TIPARP (0.63) KMT2APARP1TIPARP
SCHEMBL25263476 0.85 PARP1 (0.50) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL30510759 0.85 PARP1 (0.50) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT

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