SCHEMBL3669994

SCHEMBL3669994

Cc1ccc(C(N)(I)CC(N)(I)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ACHE P22303 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
KIF11 P52732 9/20 0.37
IDO1 P14902 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
AGXT P21549 2/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL3980605 0.75 TSHR (0.55) TSHRACHETDP1CA1CA2
SCHEMBL3661955 0.75 TSHR (0.55) TSHRACHETDP1CA1CA2
SCHEMBL19981810 0.75 TSHR (0.55) TSHRACHETDP1CA1CA2
SCHEMBL6049865 0.73 TSHR (0.58) TSHRACHETDP1CA1CA2
SCHEMBL3670559 0.73 TSHR (0.46) TSHRACHETDP1CA1CA2
SCHEMBL3676489 0.71 TSHR (0.44) TSHRACHETDP1CA1CA2
SCHEMBL1143087 0.71 TSHR (0.55) TSHRACHETDP1CA1CA2
SCHEMBL2120702 0.71 TSHR (0.55) TSHRACHETDP1CA1CA2
SCHEMBL11235182 0.70 TSHR (0.48) TSHRACHETDP1CA1CA2
SCHEMBL6060758 0.70 TSHR (0.48) TSHRACHETDP1CA1CA2

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
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed