SCHEMBL8511596

SCHEMBL8511596

O=C(OCCN1C=CC=CC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 3/20 0.50
LMNA P02545 1/20 0.47
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
MEN1 O00255 1/20 0.40

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
Benzoic Acid SCHEMBL28606122 0.75 DAO (0.41) SMN1; SMN2LMNAKMT2ASLC6A2SLC6A3
SCHEMBL20425540 0.75 ALDH1A1 (0.44) SMN1; SMN2LMNAGAAALDH1A1TSHR
SCHEMBL10247167 0.74 ALDH1A1 (0.44) SMN1; SMN2TDP1LMNAMAPK1KMT2A
Bromide SCHEMBL28608648 0.74 ALDH1A1 (0.42) SMN1; SMN2GAAALDH1A1TSHRCHRNB2
Benzoic Acid SCHEMBL28606180 0.73 TSHR (0.39) LMNAKMT2AALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL28935110 0.73 ALDH1A1 (0.43) SMN1; SMN2TDP1LMNAMAPK1KMT2A
SCHEMBL137486 0.72 TDP1 (0.83) SMN1; SMN2TDP1LMNAMAPK1KMT2A
Benzoic Acid SCHEMBL28607270 0.72 DAO (0.44) SMN1; SMN2LMNAMAPK1SLC6A2SLC6A3
SCHEMBL28239672 0.71 SMN1; SMN2 (0.54) SMN1; SMN2TDP1LMNASCN1ASCN2A
SCHEMBL501862 0.71 KMT2A (0.72) SMN1; SMN2TDP1SCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958969-A OSTEOPOROSIS ELI LILLY AND COMPANY (US) 1999-09-28 US disclosed