SCHEMBL11209209

SCHEMBL11209209

CNC(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
ADAM17 P78536 1/20 0.41
KMT2A Q03164 1/20 0.41
PHGDH O43175 1/20 0.40
ATM Q13315 1/20 0.40
S1PR3 Q99500 2/20 0.39
GAA P10253 1/20 0.39
ADH1C P00326 2/20 0.38
ADH1A P07327 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
S1PR1 P21453 2/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL19027273 0.88 TSHR (0.38) TSHRALDH1A1
SCHEMBL689399 0.84 TSHR (0.45) TSHRKDM4EMEN1LMNAALOX15
SCHEMBL2875858 0.82 ATM (0.40) TSHRKDM4EKMT2AATMADH1C
SCHEMBL965411 0.80 ATM (0.54) TSHRMEN1KMT2APHGDHATM
SCHEMBL9816779 0.80 ATM (0.54) TSHRMEN1KMT2APHGDHATM
SCHEMBL968899 0.79 L3MBTL1 (0.46) TSHRKDM4EMEN1LMNAKMT2A
SCHEMBL31456097 0.78 TSHR (0.65) TSHRKDM4EMEN1LMNAALOX15
SCHEMBL31607256 0.78 SLC6A2 (0.41) TSHRKDM4ELMNAKMT2AATM
SCHEMBL1869679 0.78 PHGDH (0.48) TSHRKDM4EMEN1LMNAALOX15
SCHEMBL965799 0.77 ATM (0.51) TSHRMEN1KMT2APHGDHATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1364155-A N-Cyanomethyl amides as protease inhibitors AXYS PHARM INC (US) 2002-08-14 CN disclosed
EP-0083096-A2 Production of urethane compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP disclosed
US-4240954-A CYCLOHEXYL UREAS OR THIOUREAS AMERICAN CYANAMID COMPANY (US) 1980-12-23 US disclosed