SCHEMBL5049832

SCHEMBL5049832

COc1cccc(N(Cc2ccccn2)Cc2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.54
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ABCB1 P08183 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
SYK P43405 2/20 0.45

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
SCHEMBL5670284 0.80 CHRNA7 (0.51) CHRNA7SYK
SCHEMBL5670288 0.77 CHRNA7 (0.52) CHRNA7ALDH1A1RECQLKDM4ENPC1
SCHEMBL18157925 0.77 SMN1; SMN2 (0.59) CHRNA7MAPTALDH1A1SMN1; SMN2GRIN1
SCHEMBL29777383 0.77 SMN1; SMN2 (0.59) CHRNA7MAPTALDH1A1SMN1; SMN2GRIN1
SCHEMBL5050849 0.77 ALDH1A1 (0.50) CHRNA7MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL6678782 0.76 MTNR1A (0.65)
SCHEMBL15211924 0.76 MAPT (0.54) CHRNA7MAPTALDH1A1RECQLSMN1; SMN2
SCHEMBL15211851 0.76 MAPT (0.54) CHRNA7MAPTALDH1A1RECQLSMN1; SMN2
SCHEMBL791890 0.75 FFAR1 (0.61) ABCB1HTR1ADRD2NPC1RAB9A
SCHEMBL10559237 0.75 PGR (0.49) ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399639-B2 Sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-07-15 US disclosed
US-7018840-B2 Ligand for in the detection of toxic metals in mammals MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-03-28 US disclosed
US-20040224420-A1 Sensors, and methods of making and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-11-11 US disclosed
US-20030008405-A1 Fluorescent metal sensors, and methods of making and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed