SCHEMBL7789516

SCHEMBL7789516

C=CC(Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX1 P07099 2/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
IDO1 P14902 2/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
ACP3 P15309 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
SLC18A2 Q05940 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
SCHEMBL28849149 0.85 SMN1; SMN2 (0.50) SIGMAR1SMN1; SMN2TSHRATML3MBTL1
SCHEMBL5478275 0.84 SMN1; SMN2 (0.46) SIGMAR1SMN1; SMN2TSHRATML3MBTL1
SCHEMBL15375405 0.82 EPHX1 (0.44) SIGMAR1SMN1; SMN2EPHX1MEN1KMT2A
SCHEMBL18032933 0.81 SIGMAR1 (0.53) SIGMAR1SMN1; SMN2EPHX1ADH1BADH1C
SCHEMBL5028604 0.81 SIGMAR1 (0.53) SIGMAR1SMN1; SMN2EPHX1ADH1BADH1C
SCHEMBL24288430 0.81 SIGMAR1 (0.53) SIGMAR1SMN1; SMN2EPHX1ADH1BADH1C
SCHEMBL3298559 0.80 SMN1; SMN2 (0.46) SIGMAR1SMN1; SMN2TSHRATML3MBTL1
SCHEMBL18936271 0.79 SIGMAR1 (0.40) SIGMAR1TSHREPHX1TAAR1
SCHEMBL19559843 0.78 SIGMAR1 (0.53) SIGMAR1EPHX1MEN1KMT2ATAAR1
SCHEMBL3829583 0.76 ACE (0.42) SIGMAR1EPHX1MEN1KMT2ATAAR1

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
WO-2017096049-A1 MATERIALS FOR CATHEPSIN B ENHANCEMENT AND METHODS OF USE THE UNIVERSITY OF NORTH CAROLINA AT PEMBROKE (US) 2017-06-08 WO disclosed
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed