SCHEMBL11264128

SCHEMBL11264128

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL11259985 1.00 CA12 (0.33) CA12CA9MAPTKDM4EMEN1
SCHEMBL11280803 0.95 CA12 (0.35) CA12CA9MAPTKDM4EMEN1
SCHEMBL10618065 0.92 CA12 (0.33) CA12CA9MAPTKDM4EMEN1
SCHEMBL3877465 0.92 CA12 (0.33) CA12CA9MAPTKDM4EMEN1
SCHEMBL11268720 0.90 CYP2C19 (0.34) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9333313 0.90 HTR2C (0.32)
SCHEMBL11269716 0.85 HTR2C (0.41) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL9547576 0.82
SCHEMBL6701609 0.81 CYP2C19 (0.35) HTT
SCHEMBL10933341 0.71 HTR2C (0.36) CA12CA9MAPTKDM4EMEN1

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 3 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-4316027-A DYE INTERMEDIATES USED IN THE MANUFACTURE OF PRESSURE SENSITIVE RECORDING MATERIAL BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-4110348-A PRESSURE SENSITIVE RECORDING BASF AKTIENGESELLSCHAFT (DE) 1978-08-29 US disclosed