SCHEMBL3934053

SCHEMBL3934053

Cn1cnc2cc(OC(=O)O)ccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
HPGD P15428 2/20 0.67
GAA P10253 1/20 0.67
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
GRM5 P41594 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
FGFR1 P11362 2/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PRNP P04156 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NOTUM Q6P988 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL9707233 0.88 KMT2A (0.57) KMT2AHPGDGAAALDH1A1MAPT
SCHEMBL15825378 0.82 KMT2A (0.61) KMT2AHPGDGAAALDH1A1MAPT
SCHEMBL15091940 0.81 KMT2A (0.61) KMT2AHPGDGAAALDH1A1MAPT
SCHEMBL230452 0.78 FGFR1 (0.59) KMT2AHPGDGAAALDH1A1MAPT
SCHEMBL20854670 0.78 KMT2A (0.49) KMT2AHPGDGAAALDH1A1MAPT
SCHEMBL599310 0.76 HCAR3 (0.65) KMT2AHPGDGAAALDH1A1MAPT
SCHEMBL3938770 0.75 HCAR3 (0.60) KMT2AHPGDALDH1A1MAPTNPC1
SCHEMBL15834110 0.75 GAA (0.59) KMT2AHPGDGAAALDH1A1MAPT
SCHEMBL30914192 0.74 KMT2A (0.56) KMT2AHPGDGAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL7330424 0.74 HCAR3 (0.63) KMT2AHPGDGAAALDH1A1MAPT

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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed
EP-1551830-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-13 EP disclosed
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 WO disclosed