SCHEMBL7910319

SCHEMBL7910319

CCCNC(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP19A1 P11511 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CYP2C19 P33261 2/20 0.36
HTR2A P28223 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL13975752 0.89 SMN1; SMN2 (0.54) NPSR1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL27294490 0.82 NPSR1 (0.44) NPSR1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL13965862 0.82 NPSR1 (0.44) NPSR1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL8446138 0.82 TSHR (0.44) SMN1; SMN2POLBL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL8444370 0.80 TSHR (0.43) SMN1; SMN2POLBL3MBTL1MEN1KMT2A
SCHEMBL6891739 0.79 KCNN4 (0.48) L3MBTL1KMT2ALMNATDP1CYP2C19
SCHEMBL20788472 0.73 MIF (0.52) NPSR1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL10232620 0.73 CYP1A2 (0.41) NPSR1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL5301475 0.72 MEN1 (0.52) NPSR1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL7875274 0.69 NPSR1 (0.40) NPSR1SMN1; SMN2POLBMEN1KMT2A

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-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed