SCHEMBL10850802

SCHEMBL10850802

O=C1Cc2ccccc2C(c2ccc(Cl)cc2)N1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.72
KMT2A Q03164 2/20 0.68
GAA P10253 1/20 0.68
PRCP P42785 1/20 0.54
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
ANPEP P15144 2/20 0.39
RAB9A P51151 1/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NOS3 P29474 1/20 0.37

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
SCHEMBL31350550 0.86 SMN1; SMN2 (0.76) SMN1; SMN2KMT2AGAAPRCPMEN1
SCHEMBL11439131 0.86 SMN1; SMN2 (0.76) SMN1; SMN2KMT2AGAAPRCPMEN1
SCHEMBL21035183 0.86 SMN1; SMN2 (0.76) SMN1; SMN2KMT2AGAAPRCPMEN1
SCHEMBL21035184 0.86 SMN1; SMN2 (0.76) SMN1; SMN2KMT2AGAAPRCPMEN1
SCHEMBL10851883 0.84 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AGAAPRCPSLC6A2
SCHEMBL4996430 0.84 SMN1; SMN2 (0.72) SMN1; SMN2KMT2AGAAPRCPANPEP
SCHEMBL7427398 0.84 SMN1; SMN2 (0.72) SMN1; SMN2KMT2AGAAPRCPANPEP
SCHEMBL10857077 0.84 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AGAAPRCPSLC6A2
SCHEMBL10856095 0.83 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AGAASLC6A3ALDH1A1
SCHEMBL10855259 0.80 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AGAAPRCPALDH1A1

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-4578393-A ANTI-INFLAMMATORY AND ANT--PHEUMATIC BEECHAM GROUP P.L.C. (GB) 1986-03-25 US disclosed
EP-0139296-A2 Dihydroisoquinoline derivatives BEECHAM GROUP PLC (GB) 1985-05-02 EP disclosed