SCHEMBL2659017

SCHEMBL2659017

CN(c1cccc2cc(C(=O)NCC(CN3CCN(C(=O)O)CC3)SCc3ccccc3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG2 P16885 1/20 0.34
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ACKR3 P25106 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
PKM P14618 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
RAB9A P51151 1/20 0.30
KEAP1 Q14145 1/20 0.30
HTR1A P08908 2/20 0.30
DRD2 P14416 2/20 0.30

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
SCHEMBL2660077 0.92 ALDH1A1 (0.36) PLCG2ALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL2978405 0.92 ACKR3 (0.36) PLCG2ALDH1A1ACKR3
SCHEMBL2976696 0.87 PLCG2 (0.33) PLCG2ALDH1A1SMN1; SMN2ACKR3RAB9A
SCHEMBL2661597 0.87 HDAC8 (0.32) PLCG2RAB9A
SCHEMBL2978211 0.85 HCRTR1 (0.37) ALDH1A1SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL2659425 0.84 SMN1; SMN2 (0.35) PLCG2ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2660548 0.83 PLCG2 (0.39) PLCG2ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2660525 0.82 HCRTR1 (0.37) ALDH1A1SMN1; SMN2LMNAHPGDPKM
SCHEMBL2659436 0.82 PLCG2 (0.36) PLCG2ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2970926 0.82 PLCG2 (0.38) PLCG2ALDH1A1MAPTLMNAACKR3

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-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed