SCHEMBL6904508

SCHEMBL6904508

CCn1c(=O)[nH]c2cc(Cl)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
CYP1A2 P05177 4/20 0.66
LMNA P02545 4/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2D6 P10635 2/20 0.66
NFKB1 P19838 2/20 0.66
PMP22 Q01453 2/20 0.66
TSHR P16473 1/20 0.66
BLM P54132 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
PGR P06401 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.53
HTR1A P08908 2/20 0.50
ADRA2A P08913 2/20 0.50
DRD2 P14416 2/20 0.50
HTR2A P28223 2/20 0.50
SLC6A4 P31645 2/20 0.50
DRD3 P35462 2/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL6910220 0.87 PGR (0.72) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL6951991 0.82 LMNA (0.51) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL14326956 0.81 KMT2A (0.62) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL11713972 0.81 KMT2A (0.50) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL31207287 0.81 CYP1A2 (0.62) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL6904502 0.80 CYP1A2 (0.60) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL26040453 0.80 KMT2A (0.60) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL1640150 0.80 KMT2A (0.61) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL4077298 0.80 CYP1A2 (0.60) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL8950072 0.80 ALDH1A1 (0.46) MEN1KMT2ACYP1A2LMNACYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO claimed
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO disclosed
US-5534521-A SEROTONIN ANTAGONISTS G. D. SEARLE & CO. (US) 1996-07-09 US disclosed
US-5521193-A SEROTONIN AGONISTS AND ANTAGONISTS G. D. SEARLE & CO. (US) 1996-05-28 US disclosed
US-5280028-A Containing ketone structure in position2 G. D. SEARLE & CO. (US) 1994-01-18 US disclosed