SCHEMBL2012615

SCHEMBL2012615

O=C(NCc1ccccc1)C1=CC=CNO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
MMP13 P45452 1/20 0.47
KMT2A Q03164 1/20 0.46
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
METAP2 P50579 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43

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
SCHEMBL6236699 0.82 HPGD (0.53) HPGDSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL2353807 0.71 KMT2A (0.46) HPGDALDH1A1MMP13KMT2AHDAC2
SCHEMBL30865487 0.69 HPGD (0.77) HPGDSMN1; SMN2ALDH1A1TP53KMT2A
SCHEMBL11900090 0.68 HDAC6 (0.85) HPGDTP53MMP13HDAC2HDAC8
SCHEMBL11901003 0.68 KMT2A (0.89) HPGDTP53KMT2AHDAC2HDAC8
SCHEMBL457082 0.68 HDAC6 (0.79) HPGDALDH1A1TP53HDAC2HDAC8
SCHEMBL31680569 0.68 KMT2A (0.89) HPGDTP53KMT2AHDAC2HDAC8
Hydrochloric Acid SCHEMBL6501979 0.68 HDAC6 (0.49) HPGDTP53KMT2AHDAC2HDAC8
SCHEMBL5812651 0.67 RAB9A (0.56) HPGDSMN1; SMN2ALDH1A1TP53MMP13
Hydrochloric Acid SCHEMBL3757721 0.67 HDAC6 (0.76) HPGDALDH1A1TP53HDAC2HDAC8

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
WO-2011073276-A1 BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed
EP-1537090-A1 CHROMONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
WO-2004014880-A1 CHROMONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed