SCHEMBL6049865

SCHEMBL6049865

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
ACHE P22303 5/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA5A P35218 2/20 0.46
KIF11 P52732 3/20 0.40
CA7 P43166 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL11087192 0.89 KIF11 (0.53) TSHRACHETDP1KIF11HPGD
SCHEMBL2120702 0.84 TSHR (0.55) TSHRACHETDP1CA1CA2
SCHEMBL1143087 0.84 TSHR (0.55) TSHRACHETDP1CA1CA2
SCHEMBL15745695 0.81 TSHR (0.60) TSHRACHETDP1CA1CA2
SCHEMBL10843149 0.81 TSHR (0.60) TSHRACHETDP1CA1CA2
SCHEMBL2892242 0.81 TSHR (0.60) TSHRACHETDP1CA1CA2
SCHEMBL3668818 0.81 TSHR (0.52) TSHRACHETDP1CA1CA2
SCHEMBL1409623 0.81 TSHR (0.60) TSHRACHETDP1CA1CA2
Iodide SCHEMBL25233686 0.79 TSHR (0.57) TSHRACHETDP1CA1CA2
SCHEMBL3668727 0.79 CA2 (0.52) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307342-B1 DIGLYCIDIC ETHER DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-06-21 EP disclosed
EP-1215043-B1 Polyester film and magnetic recording medium using the same TORAY INDUSTRIES (JP) 2006-03-22 EP disclosed
US-6783889-B2 FOR USE IN DIGITAL RECORDING TYPE CASSETTE TAPE; QUALITY; FOR HIGH-DENSITY RECORDING, DIMENSIONAL STABILITY TORAY INDUSTRIES, INC. (JP) 2004-08-31 US disclosed
EP-1403241-A1 Process for the preparation of 4,4'-diaminoditolylmethane BASF AKTIENGESELLSCHAFT (DE) 2004-03-31 EP disclosed
US-20020114977-A1 Polyester film and magnetic recording medium using the same TORAY INDUSTRIES, INC. (JP) 2002-08-22 US disclosed
EP-1215043-A1 Polyester film and magnetic recording medium using the same TORAY INDUSTRIES, INC. (JP) 2002-06-19 EP disclosed
US-3996175-A FILLERS, AROMATIC POLYAMINE-DIEPOXIDE ADDUCT CURING AGENT CIBA-GEIGY CORPORATION (US) 1976-12-07 US disclosed