SCHEMBL30006138

SCHEMBL30006138

Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4cc(CNC[C@H]5C[C@H]5N)ccc4N(C)S(C)(=O)=O)cc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KMT2A Q03164 7/20 0.42
MEN1 O00255 5/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.35
NAMPT P43490 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 3/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33

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 SCHEMBL30006578 0.90 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1NPSR1POLB
Hydrochloric Acid SCHEMBL30005778 0.89 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30005065 0.88 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1NPSR1POLB
Hydrochloric Acid SCHEMBL30005530 0.88 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1POLB
Hydrochloric Acid SCHEMBL30005731 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1NPSR1POLB
Hydrochloric Acid SCHEMBL30005573 0.87 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1NPSR1POLB
Hydrochloric Acid SCHEMBL30006473 0.87 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1NPSR1POLB
SCHEMBL30004782 0.86 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1NPSR1POLB
Hydrochloric Acid SCHEMBL30005582 0.86 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1POLB
Formic Acid SCHEMBL30005384 0.86 ALDH1A1 (0.42) 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