SCHEMBL14580667

SCHEMBL14580667

c1ccc2c(c1)-c1ccc(-c3ccnc(-c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)n3)cc1C21CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
PDK2 Q15119 3/20 0.39
MAPKAPK2 P49137 2/20 0.35
NPY5R Q15761 1/20 0.34
PGR P06401 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL14580668 0.89 PDK2 (0.42) PDK2NPY5RPGR
SCHEMBL14580678 0.86 PGR (0.35) SMN1; SMN2KDM4EPDK2NPY5RPGR
SCHEMBL14612551 0.86 HPGD (0.37) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL14580676 0.86 PGR (0.38) KMT2AMEN1MAPTPDK2PGR
SCHEMBL14580669 0.85 KMT2A (0.41) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL14580656 0.84 PDK2 (0.43) KMT2AMEN1RAB9APDK2PGR
SCHEMBL18431655 0.83 KDM4E (0.31) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL14580657 0.82 PDK2 (0.57) KDM4EPOLBPDK2NPY5RPGR
SCHEMBL38665002 0.82 PGR (0.37) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL14580672 0.81 KMT2A (0.43) KMT2AMEN1MAPTNPC1RAB9A

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-20070042220-A1 Compound having spiro bond, material for luminescent coating formation and organic electroluminescence element including the same IDEMITSU KOSAN CO., LTD. (JP) 2007-02-22 US disclosed
US-20070042220-A1 Compound having spiro bond, material for luminescent coating formation and organic electroluminescence element including the same IDEMITSU KOSAN CO., LTD. (JP) 2007-02-22 US disclosed