SCHEMBL8685340

SCHEMBL8685340

c1ccc2c(OCCn3ccnc3)cccc2c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
ALDH1A1 P00352 2/20 0.66
MAPK1 P28482 2/20 0.66
ALOX15 P16050 1/20 0.66
HSD17B10 Q99714 1/20 0.66
TBXAS1 P24557 3/20 0.60
CYP19A1 P11511 1/20 0.57
TSHR P16473 1/20 0.56
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LTA4H P09960 1/20 0.52

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
SCHEMBL3786559 0.78 KDM4E (0.50) LMNAALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL24982899 0.78 MAPT (0.75) LMNATDP1ALDH1A1MAPK1ALOX15
SCHEMBL17482350 0.76 TSHR (0.61) LMNATDP1ALDH1A1MAPK1ALOX15
SCHEMBL8685928 0.76 ALDH1A1 (0.64) LMNATDP1ALDH1A1MAPK1ALOX15
SCHEMBL8685441 0.75 TBXAS1 (0.70) ALDH1A1MAPK1TBXAS1CYP19A1POLB
SCHEMBL10370478 0.75 TBXAS1 (1.00) LMNAALDH1A1MAPK1TBXAS1MEN1
SCHEMBL8580210 0.75 TBXAS1 (0.79) LMNATDP1ALDH1A1MAPK1ALOX15
SCHEMBL31518372 0.75 TBXAS1 (0.58) LMNATDP1ALDH1A1TBXAS1POLB
SCHEMBL501977 0.75 TBXAS1 (0.58) LMNATDP1ALDH1A1TBXAS1POLB
SCHEMBL10999593 0.75 POLB (0.72) LMNATDP1TBXAS1CYP19A1POLB

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-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed