SCHEMBL2421709

SCHEMBL2421709

O=C(COCc1ccccc1)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
GRM5 P41594 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
CSNK1D P48730 1/20 0.38
NSD2 O96028 1/20 0.37
ABL1 P00519 1/20 0.37
PPARG P37231 1/20 0.37
RIN1 Q13671 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL28606687 0.80 ADORA3 (0.43) KMT2AADORA3ADORA2AADORA1NPC1
SCHEMBL7402248 0.80 ALOX15 (0.50) KMT2AMAPTNPC1RAB9A
SCHEMBL6037395 0.80 KMT2A (0.47) KMT2ATAAR1MAPTNPC1RAB9A
SCHEMBL432658 0.79 TDP1 (0.53) KMT2ATAAR1TSHRRAB9AL3MBTL1
SCHEMBL6432858 0.78 KMT2A (0.46) KMT2ATAAR1MAPTNPC1RAB9A
SCHEMBL2428402 0.76 NPC1 (0.42) KMT2ATAAR1NPC1RAB9A
SCHEMBL31752166 0.75 NPC1 (0.54) NPC1RAB9A
SCHEMBL2167257 0.74 POLB (0.50) KMT2ATAAR1TSHRNPC1RAB9A
Formaldehyde SCHEMBL27478953 0.74 TAAR1 (0.57) TAAR1TSHRNSD2ABL1PPARG
SCHEMBL231282 0.73 TSHR (0.61) KMT2ATSHRMAPTGRM5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 EP disclosed