SCHEMBL9250754

SCHEMBL9250754

COC(=O)CCc1nnc(-c2ccc(-c3ccc(C(=N)N)cc3)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NR1H4 Q96RI1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.44
HDAC8 Q9BY41 3/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
ALOX15 P16050 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
SCHEMBL9258660 0.87 F2 (0.44) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL9257912 0.85 NR1H4 (0.61) KMT2AMEN1NR1H4L3MBTL1HDAC8
SCHEMBL562313 0.81 ALDH1A1 (0.62) KMT2AMEN1NR1H4L3MBTL1HDAC8
SCHEMBL9248638 0.80 RXRA (0.53) HDAC8ALDH1A1TDP1
SCHEMBL159777 0.77 NR1H4 (0.47) KMT2AMEN1NR1H4L3MBTL1LMNA
SCHEMBL9254014 0.76 NQO2 (0.55) MAPTALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL24073125 0.75 NR1H4 (0.64) KMT2AMEN1NR1H4L3MBTL1MAPT
SCHEMBL9250170 0.74 NQO2 (0.61) ALDH1A1TDP1
SCHEMBL9254531 0.74 TMPRSS15 (0.43) MAPTGAASMN1; SMN2
SCHEMBL14018791 0.74 HSD17B10 (0.47) KMT2AMEN1MAPTALDH1A1KDM4E

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
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed