SCHEMBL11280803

SCHEMBL11280803

CCN(CC)c1ccc2c(c1)OC1(C=C2)Oc2cc(N(CC)CC)ccc2C=C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
MAPT P10636 6/20 0.33
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
ALDH1A1 P00352 5/20 0.33
USP2 O75604 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
L3MBTL1 Q9Y468 4/20 0.31
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
NLRP3 Q96P20 1/20 0.31
ACHE P22303 1/20 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
SCHEMBL3877465 0.96 CA12 (0.33) CA12CA9MAPTMEN1KMT2A
SCHEMBL10618065 0.96 CA12 (0.33) CA12CA9MAPTMEN1KMT2A
SCHEMBL11264128 0.95 CA12 (0.33) CA12CA9MAPTMEN1KMT2A
SCHEMBL11259985 0.95 CA12 (0.33) CA12CA9MAPTMEN1KMT2A
SCHEMBL11268720 0.86 CYP2C19 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2CNR2
SCHEMBL4005975 0.85 CYP2C19 (0.35) HTTHIF1AEPAS1
SCHEMBL6701609 0.85 CYP2C19 (0.35) HTTHIF1AEPAS1
SCHEMBL9333313 0.84 HTR2C (0.32)
SCHEMBL9547576 0.83
SCHEMBL11269716 0.80 HTR2C (0.41) MAPTMEN1KMT2AALDH1A1KDM4E

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-4345073-A 7,7'-Diamino derivatives of 2,2'-spirodibenzopyranes BASF AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
US-4110348-A PRESSURE SENSITIVE RECORDING BASF AKTIENGESELLSCHAFT (DE) 1978-08-29 US disclosed