SCHEMBL6987943

SCHEMBL6987943

CCC(C/C=C/C#N)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CCR5 P51681 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MIF P14174 1/20 0.35
TRPA1 O75762 4/20 0.33
TAAR1 Q96RJ0 3/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.33
CTSC P53634 1/20 0.32
HKDC1 Q2TB90 1/20 0.31
CTSD P07339 1/20 0.31
CTSE P14091 1/20 0.31
BACE1 P56817 1/20 0.31
PBRM1 Q86U86 1/20 0.30
AOC3 Q16853 1/20 0.30

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
SCHEMBL6987947 1.00 LMNA (0.37) LMNACCR5SMN1; SMN2MIFTRPA1
SCHEMBL11078121 0.83 LMNA (0.35) LMNACCR5SMN1; SMN2MIFTRPA1
SCHEMBL11078122 0.83 LMNA (0.35) LMNACCR5SMN1; SMN2MIFTRPA1
SCHEMBL3440755 0.79 TAAR1 (0.44) TRPA1TAAR1TSHRAOC3
SCHEMBL10640638 0.78 LMNA (0.42) LMNACCR5MIFTRPA1TAAR1
SCHEMBL10640640 0.78 LMNA (0.42) LMNACCR5MIFTRPA1TAAR1
SCHEMBL5853849 0.78 LMNA (0.42) LMNACCR5SMN1; SMN2MIFTRPA1
SCHEMBL5853851 0.78 LMNA (0.42) LMNACCR5SMN1; SMN2MIFTRPA1
SCHEMBL996150 0.76 TRPA1 (0.31) LMNATRPA1TSHR
SCHEMBL996151 0.76 TRPA1 (0.31) LMNATRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP disclosed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 US disclosed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US disclosed
EP-1037886-A1 TRIAZINE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2000-09-27 EP disclosed
WO-1999031088-A1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-06-24 WO disclosed