SCHEMBL30004834

SCHEMBL30004834

Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4cc(CN(CCN)CCN)ccc4N(C)S(C)(=O)=O)cc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL30005065 0.93 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30005517 0.91 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1NPSR1PKM
Hydrochloric Acid SCHEMBL30005778 0.90 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1NPSR1POLB
Hydrochloric Acid SCHEMBL30005530 0.88 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1POLB
Hydrochloric Acid SCHEMBL30006473 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1NPSR1POLB
Hydrochloric Acid SCHEMBL30005582 0.88 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1POLB
Hydrochloric Acid SCHEMBL30004692 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30004782 0.87 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30005642 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30005710 0.86 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1NPSR1POLB

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed