SCHEMBL9158329

SCHEMBL9158329

O=C(CN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1)Nc1cccc2cccnc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ POLB P06746 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ HDAC1 Q13547 5/20 0.48
▸ HDAC3 O15379 3/20 0.47
▸ HDAC4 P56524 3/20 0.47
▸ HDAC7 Q8WUI4 3/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ HDAC10 Q969S8 3/20 0.47
▸ HDAC11 Q96DB2 3/20 0.47
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ HDAC9 Q9UKV0 3/20 0.47
▸ HDAC5 Q9UQL6 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ KDR P35968 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 4/20 0.45

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
SCHEMBL9158437 0.80 HPGD (0.53) POLBHTTLMNAALDH1A1MAPT
SCHEMBL9157740 0.79 KMT2A (0.66) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9157966 0.75 ALDH1A1 (0.58) GAAPOLBALDH1A1MAPTMEN1
SCHEMBL9153787 0.74 KMT2A (0.55) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9152136 0.73 BCHE (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8860030 0.73 CA12 (0.60) GAANPSR1POLBTDP1ALDH1A1
SCHEMBL9156584 0.72 MAPT (0.50) POLBTDP1HDAC1HDAC3HDAC4
SCHEMBL9152837 0.72 POLB (0.57) POLBTDP1HDAC1HDAC6ALDH1A1
SCHEMBL9154021 0.72 ALDH1A1 (0.55) GAANPSR1POLBHDAC1HDAC6
SCHEMBL9159221 0.71 MEN1 (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 — — US disclosed
Send feedback