SCHEMBL7000263

SCHEMBL7000263

O=C1CCN(CCCCl)C(=O)c2c1ccn2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.39
KMT2A Q03164 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
PTPN1 P18031 1/20 0.39
ACHE P22303 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
VEGFA P15692 1/20 0.35
EGLN1 Q9GZT9 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
SCHEMBL6774193 0.93 ACHE (0.40) MDM2KMT2ACTDSP1PTPN1ACHE
SCHEMBL9041354 0.87 L3MBTL1 (0.39) MDM2KMT2ACTDSP1DDB1CRBN
SCHEMBL6994951 0.84 PTPN1 (0.36) KMT2APTPN1L3MBTL1
SCHEMBL6993124 0.84 HTR1A (0.49)
SCHEMBL6991433 0.80 L3MBTL1 (0.39) MDM2KMT2ACTDSP1DDB1CRBN
SCHEMBL6996046 0.80 KDM4E (0.33) KMT2APTPN1L3MBTL1
SCHEMBL6989705 0.80 L3MBTL1 (0.41) MDM2KMT2ACTDSP1ACHEDDB1
SCHEMBL6988025 0.79 L3MBTL1 (0.39) MDM2KMT2ACTDSP1DDB1CRBN
SCHEMBL9040855 0.79 PTPN1 (0.39) PTPN1
SCHEMBL6987269 0.78 L3MBTL1 (0.38) MDM2KMT2ACTDSP1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557526-B1 PYRROLOAZEPINE COMPOUND SUNTORY LTD (JP) 2003-04-02 EP disclosed
US-5399557-A Cardiovascular disorders SUNTORY LIMITED (JP) 1995-03-21 US disclosed
EP-0557526-A1 PYRROLOAZEPINE COMPOUND SUNTORY LIMITED (JP) 1993-09-01 EP disclosed