SCHEMBL7049352

SCHEMBL7049352

CCCc1c(C(=O)N[C@@H](C)c2ccccc2)n(N)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CNR2 P34972 4/20 0.47
CNR1 P21554 1/20 0.47
POLB P06746 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HTT P42858 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGER4 P35408 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7046760 1.00 MEN1 (0.49) MEN1KMT2AL3MBTL1CNR2CNR1
SCHEMBL7045782 0.93 CNR2 (0.53) MEN1KMT2AL3MBTL1CNR2CNR1
SCHEMBL7046762 0.74 MEN1 (0.55) MEN1KMT2AL3MBTL1CNR2CNR1
SCHEMBL7049357 0.74 MEN1 (0.55) MEN1KMT2AL3MBTL1CNR2CNR1
SCHEMBL4610877 0.74 KMT2A (0.51) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL7046082 0.73 P2RX7 (0.44) KMT2ACNR2CNR1KDM4ESMN1; SMN2
SCHEMBL7046652 0.73 P2RX7 (0.47) MEN1KMT2ACNR2CNR1KDM4E
SCHEMBL7045786 0.73 CNR2 (0.60) MEN1KMT2AL3MBTL1CNR2CNR1
SCHEMBL4613206 0.72 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL6746510 0.72 P2RX7 (0.48) MEN1KMT2ACNR2CNR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460064-A1 Indole-2-carboxamide derivatives useful as beta-2 agonists Pfizer Limited (GB) 2004-09-22 EP claimed
EP-1460064-A1 Indole-2-carboxamide derivatives useful as beta-2 agonists Pfizer Limited (GB) 2004-09-22 EP disclosed