SCHEMBL7980707

SCHEMBL7980707

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)NCCCn1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
HPRT1 P00492 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
IDE P14735 2/20 0.43
POLB P06746 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7576799 0.84 HPRT1 (0.51) HPRT1MEN1KMT2ALMNA
SCHEMBL7570074 0.82 HPRT1 (0.53) HPRT1KMT2ALMNA
SCHEMBL7575108 0.82 HPRT1 (0.53) HPRT1
SCHEMBL7570913 0.81 HPRT1 (0.50) HPRT1
SCHEMBL7570961 0.80 HPRT1 (0.46) TSHRHPRT1MEN1KMT2ASMN1; SMN2
SCHEMBL7568062 0.80 HPRT1 (0.48) HPRT1NPSR1MEN1KMT2ALMNA
SCHEMBL7982326 0.80 HPRT1 (0.51) HPRT1TDP1
SCHEMBL7575074 0.79 HPRT1 (0.48) TSHRHPRT1POLBMEN1KMT2A
SCHEMBL7568116 0.79 HPRT1 (0.46) HPRT1
SCHEMBL7571914 0.79 HPRT1 (0.49) TSHRHPRT1MEN1KMT2ASMN1; SMN2

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-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US claimed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US disclosed