SCHEMBL10831722

SCHEMBL10831722

CCCCN(CCCC)CCCNc1ccccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
METAP2 P50579 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10831309 0.90 KDM4E (0.47) TSHRKDM4EHPGDHSD17B10METAP2
SCHEMBL30528606 0.88 TSHR (0.56) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3568604 0.88 TSHR (0.56) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL4247250 0.86 TSHR (0.55) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2122821 0.81 TSHR (0.58) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL7522731 0.78 KDM4E (0.54) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL11728357 0.77 TLR8 (0.47) TSHRKDM4EHPGDL3MBTL1METAP2
SCHEMBL7522536 0.76 KDM4E (0.54) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL10832004 0.76 KDM4E (0.53) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL7528112 0.74 KDM4E (0.58) TSHRKDM4EHPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4585869-A ANTIINFLAMMATORY, ANALGESIC, ANTIULCER ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-04-29 US disclosed
US-4549023-A ANTINFLAMMATORY AGENTS, ANALGESICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-10-22 US disclosed
US-4474964-A 3-Aminoindazole derivatives ASAHI, KASEI, KOGYO, KABUSHIKI, KAISHA (JP) 1984-10-02 US disclosed
EP-0049779-A1 3-Aminoindazole derivatives and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-04-21 EP disclosed