SCHEMBL6142118

SCHEMBL6142118

CN(Cc1ccc(Cl)nc1O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34

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
SCHEMBL5697692 0.73 POLB (0.46) MEN1KMT2AHDAC6
SCHEMBL9212931 0.73 HSD17B3 (0.47) HSD17B3TAAR1MEN1KMT2ACRHBP
SCHEMBL6142244 0.71 PYCR1 (0.44) MEN1KMT2A
SCHEMBL29150566 0.71 HSD17B3 (0.47) HSD17B3TAAR1MEN1KMT2ACRHBP
SCHEMBL6141786 0.70 KDM4E (0.53) MEN1KMT2A
SCHEMBL11003393 0.69 PYCR1 (0.51) MEN1KMT2A
SCHEMBL6141679 0.69 CHEK1 (0.49) MEN1KMT2ASMN1; SMN2
SCHEMBL15990329 0.68 PDXK (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL7982978 0.68 ALDH1A1 (0.48) TAAR1MEN1KMT2ASMN1; SMN2CRHBP
SCHEMBL13360178 0.67 HSD17B3 (0.43) HSD17B3TAAR1MEN1KMT2ACRHBP

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-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO disclosed