SCHEMBL20070069

SCHEMBL20070069

CNCCCCC(=O)NC1(Cc2ccccn2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC1 Q13547 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL20069291 0.83 MEN1 (0.42) LMNAALDH1A1ALOX15SMN1; SMN2POLB
SCHEMBL20070610 0.80 RET (0.44) ALDH1A1SMN1; SMN2POLBL3MBTL1CHRM2
SCHEMBL20069293 0.76 RET (0.49) LMNAALDH1A1ALOX15POLBKDM4E
SCHEMBL28664232 0.76 SMN1; SMN2 (0.41) ALDH1A1ALOX15SMN1; SMN2POLBKDM4E
SCHEMBL20148104 0.75 RET (0.48) ALDH1A1ALOX15POLBKDM4ETSHR
SCHEMBL20070066 0.75 RET (0.47) LMNATDP1ALDH1A1ALOX15POLB
SCHEMBL20148111 0.75 RET (0.47) ALDH1A1ALOX15HDAC6HDAC1SMN1; SMN2
SCHEMBL20148110 0.74 CYP3A4 (0.44) ALDH1A1SMN1; SMN2POLBKDM4ECYP1A2
SCHEMBL28660592 0.74 CYP1A2 (0.39) ALDH1A1SMN1; SMN2POLBCYP1A2CYP3A4
SCHEMBL20069289 0.73 RET (0.48) LMNATDP1ALDH1A1SMN1; SMN2KDM4E

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed