SCHEMBL9326757

SCHEMBL9326757

NC(=O)[C@@H](c1ccccc1)c1cn[nH]c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AKT2 P31751 2/20 0.42
ROCK1 Q13464 3/20 0.41
MYLK4 Q86YV6 3/20 0.41
CTSD P07339 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
ROCK2 O75116 3/20 0.39
AKT1 P31749 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH2 P25021 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL6055220 1.00 MEN1 (0.43) MEN1KMT2AAKT2ROCK1MYLK4
SCHEMBL1560439 0.86 AKT2 (0.41) AKT2ROCK1MYLK4CTSDROCK2
SCHEMBL9327799 0.81 KMT2A (0.50) KMT2AROCK1MYLK4ALDH1A1ROCK2
SCHEMBL2169318 0.80 ALDH1A1 (0.43) MEN1KMT2AROCK1MYLK4ALDH1A1
SCHEMBL741751 0.80 MEN1 (0.58) MEN1KMT2ACTSDTDP1L3MBTL1
SCHEMBL2170749 0.79 NOS2 (0.33) ROCK1MYLK4ALDH1A1
SCHEMBL6201346 0.78 CYP1A2 (0.48) ALDH1A1L3MBTL1CYP1A2CYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL8550499 0.78 MEN1 (0.56) MEN1KMT2ACTSDTDP1L3MBTL1
Acetic Acid SCHEMBL9853044 0.74 MEN1 (0.53) MEN1KMT2ACTSDALDH1A1TDP1
SCHEMBL2205442 0.73 SLC6A2 (0.54) MEN1KMT2ACTSDALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424021-B1 Antimuscarinic bronchodilators PFIZER LTD (GB) 1994-03-02 EP disclosed
US-5171744-A Antimuscarinic bronchodilators PFIZER INC. (US) 1992-12-15 US disclosed
EP-0424021-A1 Antimuscarinic bronchodilators Pfizer Limited (GB) 1991-04-24 EP disclosed