SCHEMBL19604115

SCHEMBL19604115

O=NCC1CC2CCC1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX7 Q99572 1/20 0.32
HPGD P15428 1/20 0.32
EPHX2 P34913 2/20 0.32
SIGMAR1 Q99720 3/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31

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
SCHEMBL1070337 0.77 MEN1 (0.37) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL226325 0.73
SCHEMBL13398596 0.72 MEN1 (0.33) MEN1KMT2ANPC1RAB9A
SCHEMBL25233759 0.72 MEN1 (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL222555 0.70 MEN1 (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL15373732 0.70 MEN1 (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL20860351 0.69
SCHEMBL20860322 0.69
SCHEMBL24521730 0.69
SCHEMBL22958273 0.69

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
WO-2017197056-A1 BROMODOMAIN TARGETING DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed