SCHEMBL7901198

SCHEMBL7901198

O=[N+]([O-])c1ccc(CCc2cc[c]cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
LOXL2 Q9Y4K0 1/20 0.53
KCNJ1 P48048 5/20 0.53
KCNH2 Q12809 5/20 0.53
HRH3 Q9Y5N1 1/20 0.50
IDO1 P14902 2/20 0.48
AKR1C3 P42330 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
CYP19A1 P11511 1/20 0.45
KMT2A Q03164 1/20 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
SCHEMBL6827685 0.88 POLB (0.61) TSHRLOXL2KCNJ1KCNH2IDO1
SCHEMBL3292782 0.87 TSHR (0.75) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL8094543 0.81 POLB (0.68) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL28139668 0.80 ALDH1A1 (0.55) TSHRLOXL2ALDH1A1CYP19A1
SCHEMBL16031 0.80
SCHEMBL13946243 0.79 CYP1A2 (0.67) TSHRLOXL2KCNJ1KCNH2ALDH1A1
SCHEMBL18913824 0.79 TSHR (0.69) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL30758863 0.79 TSHR (0.69) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL4001120 0.78 TSHR (0.58) TSHRLOXL2KCNJ1KCNH2HRH3
Hydrochloric Acid SCHEMBL1162175 0.78 ALDH1A1 (0.52) TSHRLOXL2IDO1ALDH1A1

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-6284314-B1 Porous ceramic thin film and method for production thereof AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY, MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 2001-09-04 US disclosed