SCHEMBL9260392

SCHEMBL9260392

CCCCC(=N)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 5/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
TBXAS1 P24557 1/20 0.46
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 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
SCHEMBL28769597 0.80 TBXAS1 (0.56) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL552456 0.79 HDAC1 (0.63) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL26773744 0.79 L3MBTL1 (0.53) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL31030252 0.79 HDAC1 (0.63) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL9425725 0.77 PTGS2 (0.57) ALDH1A1
SCHEMBL27310547 0.77 L3MBTL1 (0.50) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL552357 0.75 HDAC1 (0.66) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL9744368 0.74 L3MBTL1 (0.55) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL1538182 0.74 L3MBTL1 (0.55) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL25010419 0.73 LMNA (0.55) L3MBTL1LMNAHDAC3HDAC1HDAC2

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-5424436-A Processes for the synthesis of unsymmetrical secondary amines REILLY INDUSTRIES, INC. (US) 1995-06-13 US disclosed